Test: ubuntu-20.04.clang.foldit.unit.debug 「view this page in B3 βῆτα server」
Branch: interactive/develop 「revision: №621」
Test files: 「file-system-view」 「file-list-view」
Daemon: nobu-3     Started at: 2024-06-07 17:23:26     Run time: 0:43:27      State: failed

Failed sub-tests (click for more details):
game:ServerTests

Running 1 test Running 4 tests Running 4 tests Running 2 tests Running 1 test Test suite: OptionsSystemTests (../../source/test/basic/options/options_system.cxxtest.hh) Test suite: CmdlineOptionsOrderTests (../../source/test/basic/options/CmdlineOptionsOrderTests.cxxtest.hh) Test suite: AACompositionEnergyTests_aliphnotpro (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_aliphnotpro.cxxtest.hh) Test suite: ResourceLoaderFactoryTests (../../source/test/basic/resource_manager/ResourceLoaderFactory.cxxtest.hh) Test suite: FileSystemResourceLocatorTests (../../source/test/basic/resource_manager/locator/FileSystemResourceLocatorTests.cxxtest.hh) Running 1 test Test suite: CitationManagerTests (../../source/test/basic/citation_manager/CitationManagerTests.cxxtest.hh) Running 1 test Running 1 test Test suite: StringResourceStreamTests (../../source/test/basic/resource_manager/locator/StringResourceStream.cxxtest.hh) Test suite: AACompositionEnergyTests_linconsttail (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_linconsttail.cxxtest.hh) Running 4 tests Test suite: HierarchicalDataMapTests (../../source/test/basic/datacache/HierarchicalDataMap.cxxtest.hh) Running 1 test Test suite: AACompositionEnergyTests_10pctaro (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_10pctaro.cxxtest.hh) Running 1 test Running 1 test Test suite: DatabaseResourceLocatorTests (../../source/test/basic/resource_manager/locator/DatabaseResourceLocator.cxxtest.hh) Test suite: AACompositionEnergyTests_3ACPC (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_3ACPC.cxxtest.hh) Running 1 test Test suite: AACompositionEnergyTests_bools (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_bools.cxxtest.hh) Running 1 test Running 1 test Test suite: AACompositionEnergyTests_1W1Y (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_1W1Y.cxxtest.hh) Test suite: AACompositionEnergyTests_20pctprofract (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_20pctprofract.cxxtest.hh) Running 1 test Test suite: AACompositionEnergyTests_1W (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_1W.cxxtest.hh) Running 1 test Test suite: AACompositionEnergyTests_2aro (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_2aro.cxxtest.hh) Running 3 tests Test suite: AARepeatEnergyTests (../../source/test/core/scoring/methods/AARepeatEnergy.cxxtest.hh) Running 2 tests Test suite: SVDSolverTest (../../source/test/basic/svd/SVD_Solver.cxxtest.hh) Running 1 test Running 1 test Test suite: AddHydrogensTests (../../source/test/core/chemical/modifications/AddHydrogens.cxxtest.hh) Test suite: AACompositionEnergyTests_consttail (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_consttail.cxxtest.hh) Running 1 test Running 1 test Test suite: ArgCationPiEnergyTests (../../source/test/core/scoring/methods/ArgCationPiEnergy.cxxtest.hh) Test suite: AACompositionEnergyTests_2WY (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_2WY.cxxtest.hh) Running 1 test Test suite: AACompositionEnergyTests_quadratic_interpolation (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_quadratic_interpolation.cxxtest.hh) Running 1 test Running 1 test Test suite: AltCodesIOTests (../../source/test/core/io/alt_codes_io.cxxtest.hh) Test suite: AACompositionEnergyTests_quadratail (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_quadratail.cxxtest.hh) Running 1 test Test suite: AmberPeriodicFuncTests (../../source/test/core/scoring/func/AmberPeriodicFunc.cxxtest.hh) Running 1 test Running 5 tests Running 1 test Test suite: AACompositionEnergyTests_interpolate_linear (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_interpolate_linear.cxxtest.hh) Test suite: AngleConstraintTests (../../source/test/core/scoring/constraints/AngleConstraint.cxxtest.hh) Test suite: AmbiguousNMRConstraintTests (../../source/test/core/scoring/constraints/AmbiguousNMRConstraint.cxxtest.hh) Running 7 tests Test suite: AtomPairConstraintTests (../../source/test/core/scoring/constraints/AtomPairConstraint.cxxtest.hh) Running 1 test Running 1 test Test suite: AmbiguousNMRDistanceConstraintTests (../../source/test/core/scoring/constraints/AmbiguousNMRDistanceConstraint.cxxtest.hh) Test suite: AACompositionEnergyTests_20pctpro (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_20pctpro.cxxtest.hh) Running 23 tests Test suite: ApproximateBuriedUnsatPenaltyTests (../../source/test/core/pack/guidance_scoreterms/approximate_buried_unsat_penalty/ApproximateBuriedUnsatPenalty.cxxtest.hh) Running 3 tests Running 1 test Running 1 test Test suite: ExecuteTest (../../source/test/basic/execute.cxxtest.hh) Test suite: AtomICoorTests (../../source/test/core/chemical/AtomICoor.cxxtest.hh) Test suite: AACompositionEnergyTests_packer (../../source/test/core/scoring/aa_composition_energy/AACompositionEnergy_packer.cxxtest.hh) Running 5 tests Test suite: AtomicDepthTests (../../source/test/core/scoring/atomic_depth/AtomicDepth.cxxtest.hh) Running 1 test Running 6 tests Test suite: AndResidueSelectorTests (../../source/test/core/select/residue_selector/AndResidueSelector.cxxtest.hh) Test suite: AmbiguousConstraintTests (../../source/test/core/scoring/constraints/AmbiguousConstraint.cxxtest.hh) Running 5 tests Test suite: ResourceManagerTests (../../source/test/basic/resource_manager/ResourceManager.cxxtest.hh) Running 3 tests Test suite: AtomTreeCollectionTests (../../source/test/core/pack/scmin/AtomTreeCollection.cxxtest.hh) Running 1 test Test suite: ABEGOManagerTest (../../source/test/core/sequence/ABEGOManager.cxxtest.hh) Running 8 tests Test suite: AndJumpSelectorTests (../../source/test/core/select/jump_selector/AndJumpSelector.cxxtest.hh) Running 1 test Test suite: AtomTreeDiffTests (../../source/test/core/io/atom_tree_diffs/atom_tree_diff.cxxtest.hh) Running 2 tests Test suite: AnnotatedSequenceTests (../../source/test/core/pose/annotated_sequence.cxxtest.hh) Running 2 tests Test suite: AtomTests (../../source/test/core/chemical/AtomTests.cxxtest.hh) Running 3 tests Test suite: AspartimidePenaltyEnergyTests (../../source/test/core/scoring/methods/AspartimidePenaltyEnergy.cxxtest.hh) WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value WARNING: Override of option -fold_cst:violation_skip_basis sets a different value Running 2 tests Running 4 tests Test suite: BasicDesignTests (../../source/test/core/pack/basic_design.cxxtest.hh) Test suite: bond_support_Tests (../../source/test/core/chemical/bond_support.cxxtest.hh) Running 1 test Running 3 tests Test suite: atomtype_support_Tests (../../source/test/core/chemical/atomtype_support.cxxtest.hh) Test suite: BackboneAATests (../../source/test/core/scoring/backbone_aa.cxxtest.hh) Running 2 tests Running 2 tests Test suite: BBTorsionSRFDTest (../../source/test/core/fragment/BBTorsionSRFD.cxxtest.hh) Test suite: BinarySilentMultiposeTests (../../source/test/core/io/silent/binary_protein_silent_multipose.cxxtest.hh) Running 3 tests Test suite: BinTransitionCalculatorTests (../../source/test/core/scoring/bin_transitions/BinTransitionCalculator.cxxtest.hh) Running 2 tests Test suite: BigBinConstraintTests (../../source/test/core/scoring/constraints/BigBinConstraint.cxxtest.hh) Running 1 test Test suite: BinSelectorTests (../../source/test/core/select/residue_selector/BinSelector.cxxtest.hh) Running 1 test Running 1 test Running 4 tests Running 1 test Running 5 tests Running 1 test Test suite: AtomTypeSetTests (../../source/test/core/chemical/AtomTypeSet.cxxtest.hh) Test suite: AutomorphismTest (../../source/test/core/chemical/automorphism.cxxtest.hh) Test suite: AtomTypeDatabaseIOTests (../../source/test/core/chemical/AtomTypeDatabaseIOTests.cxxtest.hh) Test suite: BinarySilentTests (../../source/test/core/io/silent/binary_protein_silent.cxxtest.hh) Test suite: BackboneStubConstraintTests (../../source/test/core/scoring/constraints/BackboneStubConstraint.cxxtest.hh) Test suite: BackboneStubLinearConstraintTests (../../source/test/core/scoring/constraints/BackboneStubLinearConstraint.cxxtest.hh) Running 1 test Test suite: BetaNov16WithAutoSetupMetalsTests (../../source/test/core/scoring/BetaNov16WithAutoSetupMetalsTests.cxxtest.hh) Running 2 tests Test suite: AtomTreeTests (../../source/test/core/kinematics/AtomTree.cxxtest.hh) Running 1 test Test suite: BondLengthsTests (../../source/test/core/chemical/gasteiger/BondLengths.cxxtest.hh) Running 5 tests Test suite: BoundConstraintTests (../../source/test/core/scoring/constraints/BoundConstraint.cxxtest.hh) Running 3 tests Test suite: BondedSelectorTests (../../source/test/core/select/residue_selector/BondedResidueSelector.cxxtest.hh) Running 2 tests Test suite: BuriedUnsatPenaltyGraphSymmetricTests (../../source/test/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphSymmetricTests.cxxtest.hh) Running 4 tests Running 2 tests Test suite: BuriedUnsatPenaltyGraphTests (../../source/test/core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphTests.cxxtest.hh) Test suite: BuriedUnsatPenaltySymmetricTests (../../source/test/core/pack/guidance_scoreterms/buried_unsat_penalty/BuriedUnsatPenaltySymmetricTests.cxxtest.hh) Running 15 tests Test suite: CarbohydratePoseUtilityFunctionTests (../../source/test/core/pose/carbohydrates/util.cxxtest.hh) Running 4 tests Test suite: BuriedUnsatPenaltyTests (../../source/test/core/pack/guidance_scoreterms/buried_unsat_penalty/BuriedUnsatPenaltyTests.cxxtest.hh) Running 6 tests Test suite: ChainbreakEnergyTests (../../source/test/core/scoring/methods/ChainbreakEnergy.cxxtest.hh) Running 2 tests Test suite: CarbohydrateStereochemTests (../../source/test/core/chemical/carbohydrates/stereochem.cxxtest.hh) Running 2 tests Test suite: CarbonHBondEnergyTests (../../source/test/core/scoring/carbon_hbonds/CarbonHBondEnergy.cxxtest.hh) Running 9 tests Test suite: ChainSelectorTests (../../source/test/core/select/residue_selector/ChainSelector.cxxtest.hh) Running 1 test Test suite: CacheableResidueTypeSetsTests (../../source/test/core/chemical/CacheableResidueTypeSetsTests.cxxtest.hh) Running 5 tests Test suite: CarbohydrateInfoTests (../../source/test/core/chemical/carbohydrates/CarbohydrateInfo.cxxtest.hh) Running 4 tests Test suite: CarbohydrateDatabaseIOTests (../../source/test/core/chemical/carbohydrates/database_io.cxxtest.hh) Running 1 test Test suite: CarbohydrateScoringDatabaseIOTests (../../source/test/core/scoring/carbohydrates/database_io.cxxtest.hh) Running 1 test Test suite: CachableDataTypeTests (../../source/test/core/pose/datacache/CacheableDataType.cxxtest.hh) Running 2 tests Running 3 tests Running 3 tests Running 6 tests Test suite: CartGridTest (../../source/test/core/grid/CartGrid.cxxtest.hh) Test suite: CenRotModelEnergyTests (../../source/test/core/scoring/cenrot/CenRotEnergy.cxxtest.hh) Test suite: CalculatorMetricsTests (../../source/test/core/simple_metrics/metrics/CalculatorMetric.cxxtest.hh) Test suite: CartesianBondedEnergyBBDepTests (../../source/test/core/scoring/methods/CartesianBondedEnergyBBDep.cxxtest.hh) Running 1 test Running 1 test Test suite: CarbohydratePoseIOTests (../../source/test/core/io/carbohydrates/pose_io.cxxtest.hh) Test suite: CarbohydrateInfoManagerTests (../../source/test/core/chemical/carbohydrates/CarbohydrateInfoManager.cxxtest.hh) Running 1 test Running 1 test Test suite: Chains62Tests (../../source/test/core/io/chains_62.cxxtest.hh) Test suite: CarbohydrateScoringUtilityFunctionTests (../../source/test/core/scoring/carbohydrates/util.cxxtest.hh) Running 3 tests Test suite: CartesianBondedEnergyTests (../../source/test/core/scoring/methods/CartesianBondedEnergy.cxxtest.hh) Running 1 test Test suite: ChemistryTests (../../source/test/core/chemical/modifications/Chemistry.cxxtest.hh) Running 1 test Test suite: CircularGeneral1D_FuncTests (../../source/test/core/scoring/func/CircularGeneral1D_Func.cxxtest.hh) Running 3 tests Running 1 test Test suite: CHIEnergyFunctionTests (../../source/test/core/scoring/carbohydrates/CHIEnergyFunction.cxxtest.hh) Test suite: CharmmPeriodicFuncTests (../../source/test/core/scoring/func/CharmmPeriodicFunc.cxxtest.hh) Running 1 test Running 1 test Test suite: ChemistryNamespaceUtilityFunctionTests (../../source/test/core/chemical/util.cxxtest.hh) Test suite: ChemicalModificationsTests (../../source/test/core/chemical/modifications/ChemicalModifications.cxxtest.hh) Running 1 test Test suite: CircularSigmoidalFuncTests (../../source/test/core/scoring/func/CircularSigmoidalFunc.cxxtest.hh) Running 1 test Running 10 tests Test suite: CircularSplineFuncTests (../../source/test/core/scoring/func/CircularSplineFunc.cxxtest.hh) Test suite: ClashBasedShellSelectorTests (../../source/test/core/pack/task/residue_selector/ClashBasedShellSelectorTests.cxxtest.hh) Running 1 test Test suite: ClashBasedRepackShellTests (../../source/test/core/pack/task/operation/ClashBasedRepackShell.cxxtest.hh) Running 1 test Test suite: CircularHarmonicFuncTests (../../source/test/core/scoring/func/CircularHarmonicFunc.cxxtest.hh) Running 1 test Test suite: CircularPowerFuncTests (../../source/test/core/scoring/func/CircularPowerFunc.cxxtest.hh) Running 3 tests Test suite: ConformationUtilityFunctionTests (../../source/test/core/conformation/util.cxxtest.hh) Running 1 test Running 2 tests Running 1 test Test suite: ConstantConstraintTests (../../source/test/core/scoring/constraints/ConstantConstraint.cxxtest.hh) Test suite: ConsensusSequenceParserTests (../../source/test/core/enzymes/consensus_sequence_parsers.cxxtest.hh) Test suite: component_reading_Tests (../../source/test/core/import_pose/component_reading.cxxtest.hh) Running 1 test Test suite: ConstantFuncTests (../../source/test/core/scoring/func/ConstantFunc.cxxtest.hh) Running 7 tests Test suite: ConformationAtomTest (../../source/test/core/conformation/Atom.cxxtest.hh) Running 8 tests Running 1 test Test suite: CloseContactResidueSelectorTests (../../source/test/core/select/residue_selector/CloseContactResidueSelector.cxxtest.hh) Test suite: conformation_stored_restypes_tests (../../source/test/core/conformation/conformation_stored_restypes.cxxtest.hh) Running 9 tests Test suite: ConformationTests (../../source/test/core/conformation/Conformation.cxxtest.hh) Running 1 test Test suite: ConstraintIOTests (../../source/test/core/scoring/constraints/ConstraintIO.cxxtest.hh) Running 5 tests Test suite: ConstraintsEnergyTests (../../source/test/core/scoring/constraints/ConstraintsEnergy.cxxtest.hh) Running 9 tests Test suite: ConstraintSetTests (../../source/test/core/scoring/constraints/ConstraintSet.cxxtest.hh) Running 1 test Test suite: ConstraintSetRemappingTests (../../source/test/core/scoring/constraints/ConstraintSetRemapping.cxxtest.hh) Running 16 tests Test suite: ConstraintUtilTests (../../source/test/core/scoring/constraints/util.cxxtest.hh) Running 1 test Test suite: CopyDofsTest (../../source/test/core/pose/copydofs/CopyDofsTest.cxxtest.hh) Running 1 test Test suite: CountViolFuncTests (../../source/test/core/scoring/func/CountViolFunc.cxxtest.hh) Running 1 test Test suite: CoordinateConstraintTests (../../source/test/core/scoring/constraints/CoordinateConstraint.cxxtest.hh) Running 1 test Running 2 tests Test suite: ContactOrderEnergy_Tests (../../source/test/core/scoring/methods/ContactOrderEnergy.cxxtest.hh) Test suite: CoreKinematicsUtilTests (../../source/test/core/kinematics/util.cxxtest.hh) Running 2 tests Test suite: CtermAmidationTests (../../source/test/core/chemical/CtermAmidationTests.cxxtest.hh) Running 19 tests Running 28 tests Test suite: CyclicGeometry_betanov15_Tests (../../source/test/core/scoring/cyclic_geometry_betanov15.cxxtest.hh) Test suite: CyclicGeometry_beta_peptoid_TwoChainTests (../../source/test/core/scoring/cyclic_geometry_beta_peptoid_2chain.cxxtest.hh) Running 19 tests Test suite: CyclicGeometry_betanov15_TwoChainTests (../../source/test/core/scoring/cyclic_geometry_betanov15_2chain.cxxtest.hh) Running 27 tests Test suite: CyclicGeometry_betanov16_Tests (../../source/test/core/scoring/cyclic_geometry_betanov16.cxxtest.hh) Running 27 tests Test suite: CyclicGeometry_betanov16_TwoChainTests (../../source/test/core/scoring/cyclic_geometry_betanov16_2chain.cxxtest.hh) Running 13 tests Test suite: CyclicGeometry_nmethyl_beta_TwoChainTests_A (../../source/test/core/scoring/cyclic_geometry_beta_nmethyl_2chain_A.cxxtest.hh) Running 27 tests Test suite: CyclicGeometry_nmethyl_beta_Tests (../../source/test/core/scoring/cyclic_geometry_nmethyl_beta.cxxtest.hh) Running 19 tests Test suite: CyclicGeometry_nmethyl_betanov15_TwoChainTests (../../source/test/core/scoring/cyclic_geometry_betanov15_nmethyl_2chain.cxxtest.hh) Running 19 tests Test suite: CyclicGeometry_nmethyl_betanov15_Tests (../../source/test/core/scoring/cyclic_geometry_nmethyl_betanov15.cxxtest.hh) Running 14 tests Test suite: CyclicGeometry_nmethyl_beta_TwoChainTests_B (../../source/test/core/scoring/cyclic_geometry_beta_nmethyl_2chain_B.cxxtest.hh) Running 19 tests Test suite: CyclicGeometry_peptoid_Tests (../../source/test/core/scoring/cyclic_geometry_peptoid.cxxtest.hh) Running 27 tests Test suite: CyclicGeometry_peptoid_beta_Tests (../../source/test/core/scoring/cyclic_geometry_peptoid_beta.cxxtest.hh) Running 19 tests Test suite: CyclicGeometry_peptoid_TwoChainTests (../../source/test/core/scoring/cyclic_geometry_peptoid_2chain.cxxtest.hh) Running 17 tests Test suite: CyclicGeometryTests (../../source/test/core/scoring/cyclic_geometry.cxxtest.hh) Running 17 tests Running 17 tests Test suite: CyclicGeometryTwoChainTests (../../source/test/core/scoring/cyclic_geometry_2chain.cxxtest.hh) Test suite: CyclicGeometryTwoChain_nmethyl_Tests (../../source/test/core/scoring/cyclic_geometry_nmethyl_2chain.cxxtest.hh) Running 17 tests Test suite: CyclicGeometryTests_nmethyl (../../source/test/core/scoring/cyclic_geometry_nmethyl.cxxtest.hh) Running 6 tests Running 2 tests Test suite: DEERDataTest (../../source/test/core/scoring/epr_deer/DEERData_test.cxxtest.hh) Test suite: DAminoAcidImportTests (../../source/test/core/io/pdb/DAminoAcidImportTests.cxxtest.hh) Running 2 tests Test suite: DEERDataCacheTest (../../source/test/core/scoring/epr_deer/DEERDataCache_test.cxxtest.hh) Trace: Turning on bounds! Trace: Turning on reverse calculation! Trace: Turning on backbone calculation! 1 Running 2 tests Test suite: DEEREnergyMethodTest (../../source/test/core/scoring/epr_deer/DEEREnergyMethod_test.cxxtest.hh) Running 1 test Test suite: DEPC_MS_EnergyTests (../../source/test/core/scoring/DEPC_MS_Energy.cxxtest.hh) Running 5 tests Test suite: DihedralConstraintTests (../../source/test/core/scoring/constraints/DihedralConstraint.cxxtest.hh) Running 7 tests Test suite: Dunbrack2002Test (../../source/test/core/scoring/dunbrack/Dunbrack2002.cxxtest.hh) Running 1 test Test suite: DihedralPairConstraintTests (../../source/test/core/scoring/constraints/DihedralPairConstraint.cxxtest.hh) Running 7 tests Test suite: DunbrackEnergyTests (../../source/test/core/pack/dunbrack/DunbrackEnergy.cxxtest.hh) Running 7 tests Test suite: DunbrackEnergyTests_oligourea (../../source/test/core/pack/dunbrack/DunbrackEnergyTests_oligourea.cxxtest.hh) Running 3 tests Test suite: DunbrackEnergyTests_peptoid (../../source/test/core/pack/dunbrack/DunbrackEnergyTests_peptoid.cxxtest.hh) Running 2 tests Test suite: ElementsTests (../../source/test/core/chemical/Elements.cxxtest.hh) Running 2 tests Test suite: EnergyGraphTests (../../source/test/core/scoring/EnergyGraph.cxxtest.hh) Running 20 tests Test suite: EnergyMapTest (../../source/test/core/scoring/EnergyMap.cxxtest.hh) Running 1 test Test suite: EnvPairPotentialTest (../../source/test/core/scoring/EnvPairPotential.cxxtest.hh) Running 3 tests Test suite: EnvSmoothEnergyTests (../../source/test/core/scoring/methods/EnvSmoothEnergy.cxxtest.hh) Running 1 test Test suite: EnzymeDatabaseIOTests (../../source/test/core/enzymes/database_io.cxxtest.hh) Running 31 tests Test suite: EtableEnergyTests (../../source/test/core/scoring/etable/EtableEnergy.cxxtest.hh) Running 2 tests Test suite: EPRSpinLabelTest (../../source/test/core/scoring/epr_deer/EPRSpinLabel_test.cxxtest.hh) Running 1 test Test suite: EtableUnModifyPotTests (../../source/test/core/scoring/etable/EtableUnModifyPot.cxxtest.hh) Running 1 test Test suite: EtableFuncTests (../../source/test/core/scoring/func/EtableFunc.cxxtest.hh) Running 12 tests Test suite: FA_ElecEnergyTests (../../source/test/core/scoring/elec/FA_ElecEnergy.cxxtest.hh) Running 1 test Test suite: FA_ElecEnergyTests_pre_talaris (../../source/test/core/scoring/elec/FA_ElecEnergy_pre_talaris.cxxtest.hh) 32 0 33 0.000999001 34 0.001998 35 0.003996 36 0.00599401 37 0.00799201 38 0.00999001 39 0.011988 40 0.013986 41 0.016983 42 0.018981 43 0.021978 44 0.025974 45 0.031968 46 0.038961 47 0.048951 48 0.0599401 49 0.0669331 50 0.0739261 51 0.0729271 52 0.0719281 53 0.0639361 54 0.0569431 55 0.048951 56 0.041958 57 0.034965 58 0.028971 59 0.023976 60 0.018981 61 0.016983 62 0.013986 63 0.011988 64 0.00999001 65 0.00799201 66 0.004995 67 0.002997 68 0.000999001 69 0.000999001 70 0.000999001 71 0.000999001 72 0.000999001 73 0.000999001 74 0 75 0 76 0 Running 1 test Test suite: FabConstraintTests (../../source/test/core/scoring/constraints/FabConstraint.cxxtest.hh) Running 1 test Test suite: FaMbEnvTest (../../source/test/core/scoring/membrane/FaMbenv.cxxtest.hh) Running 1 test Test suite: FaMbSolvTest (../../source/test/core/scoring/membrane/FaMbsolv.cxxtest.hh) Running 1 test Test suite: FadeFuncTests (../../source/test/core/scoring/func/FadeFunc.cxxtest.hh) Running 1 test Test suite: FaMPEnvTest (../../source/test/core/scoring/membrane/FaMPEnv.cxxtest.hh) Running 1 test Test suite: FaMPSolvTest (../../source/test/core/scoring/membrane/FaMPSolv.cxxtest.hh) Running 1 test Test suite: FASTERAnnealerTests (../../source/test/core/pack/annealer/FASTERAnnealer.cxxtest.hh) Running 2 tests Test suite: FASTERInteractionGraphTests (../../source/test/core/pack/interaction_graph/FASTERInteractionGraph.cxxtest.hh) Running 1 test Running 1 test Test suite: FieldTests (../../source/test/core/io/pdb/Field.cxxtest.hh) Test suite: FiberDiffractionEnergyTest (../../source/test/core/scoring/fiber_diffraction/FiberDiffractionEnergy.cxxtest.hh) Running 1 test Test suite: FlatHarmonicFuncTests (../../source/test/core/scoring/func/FlatHarmonicFunc.cxxtest.hh) Running 1 test Test suite: FixHisTautomerTest (../../source/test/core/pack/task/fix_his_tautomer.cxxtest.hh) Running 2 tests Test suite: FillAUTOTaskOperationTests (../../source/test/core/pack/task/operation/FillAUTOTaskOperation.cxxtest.hh) Running 3 tests Test suite: FoldTreeSketch (../../source/test/core/environment/FoldTreeSketch.cxxtest.hh) Running 44 tests Test suite: FoldTreeTest (../../source/test/core/kinematics/FoldTree.cxxtest.hh) Running 1 test Running 4 tests Test suite: FragmentConstantLengthTest (../../source/test/core/fragment/ConstantLengthFragments.cxxtest.hh) Test suite: FullatomCustomPairDistanceEnergyTests (../../source/test/core/scoring/custom_pair_distance/FullatomCustomPairDistanceEnergy.cxxtest.hh) Running 2 tests Running 7 tests Test suite: FullatomDisulfideEnergyTests (../../source/test/core/scoring/disulfides/FullatomDisulfideEnergy.cxxtest.hh) Test suite: GasteigerAtomTyperTests (../../source/test/core/chemical/gasteiger/GasteigerAtomTyper.cxxtest.hh) Running 1 test Test suite: GaussianChainDoubleFuncTests (../../source/test/core/scoring/func/GaussianChainDoubleFunc.cxxtest.hh) Running 4 tests Running 2 tests Test suite: GaussianChainFuncTests (../../source/test/core/scoring/func/GaussianChainFunc.cxxtest.hh) Test suite: GasteigerAtomTypeSetTests (../../source/test/core/chemical/gasteiger/GasteigerAtomTypeSet.cxxtest.hh) Running 2 tests Test suite: GaussianChainGeneralFuncTests (../../source/test/core/scoring/func/GaussianChainGeneralFunc.cxxtest.hh) Running 1 test Test suite: GaussianChainQuadrupleFuncTests (../../source/test/core/scoring/func/GaussianChainQuadrupleFunc.cxxtest.hh) Running 1 test Test suite: GaussianChainSingleFuncTests (../../source/test/core/scoring/func/GaussianChainSingleFunc.cxxtest.hh) Running 1 test Test suite: GaussianChainTripleFuncTests (../../source/test/core/scoring/func/GaussianChainTripleFunc.cxxtest.hh) Running 2 tests Test suite: GaussianFuncTests (../../source/test/core/scoring/func/GaussianFunc.cxxtest.hh) Running 1 test Test suite: GeometricSolEnergyTests (../../source/test/core/scoring/geometric_solvation/GeometricSolEnergy.cxxtest.hh) Running 11 tests Test suite: geometric_rename_Tests (../../source/test/core/io/pose_from_sfr/chirality_resolution.cxxtest.hh) Running 1 test Test suite: glycan_PDBs_IO (../../source/test/core/io/PDB_w_glycans_IO.cxxtest.hh) Running 1 test Test suite: GlycanResidueSelectorTest (../../source/test/core/select/residue_selector/GlycanResidueSelectorTest.cxxtest.hh) Running 8 tests Test suite: GlycanTreeSetTests (../../source/test/core/pose/carbohydrates/GlycanTreeSetTests.cxxtest.hh) Running 2 tests Test suite: HarmonicFuncTests (../../source/test/core/scoring/func/HarmonicFunc.cxxtest.hh) Running 6 tests Test suite: HBNetEnergyTests (../../source/test/core/pack/guidance_scoreterms/hbnet_energy/HBNetEnergyTests.cxxtest.hh) Running 1 test Test suite: HBondDatabaseTest (../../source/test/core/scoring/hbonds/HBondDatabaseTest.cxxtest.hh) Running 3 tests Test suite: HBondDerivTest (../../source/test/core/scoring/hbonds/HBondDerivTest.cxxtest.hh) Running 1 test Test suite: HBondGraphUtilTests (../../source/test/core/pack/hbonds/HBondGraph_util.cxxtest.hh) Running 2 tests Test suite: HBondGraphTests (../../source/test/core/scoring/hbonds/graph/HBondGraph.cxxtest.hh) Running 9 tests Test suite: HBondEnergyTests (../../source/test/core/scoring/hbonds/HBondEnergy.cxxtest.hh) Running 2 tests Test suite: HbondMetricTests (../../source/test/core/simple_metrics/HbondMetricTests.cxxtest.hh) Running 2 tests Test suite: HBondsFadeEnergy (../../source/test/core/scoring/hbonds/HBondsFadeEnergy.cxxtest.hh) Running 1 test Test suite: HBondsForDemos (../../source/test/core/scoring/hbonds/HBondsForDemos.cxxtest.hh) Running 2 tests Test suite: HBPolyTest (../../source/test/core/scoring/hbonds/polynomial.cxxtest.hh) Running 5 tests Test suite: HBondsTest (../../source/test/core/scoring/hbonds/HBonds.cxxtest.hh) Running 10 tests Test suite: HPatchInteractionGraphTests (../../source/test/core/pack/interaction_graph/HPatchInteractionGraph.cxxtest.hh) Running 1 test Test suite: HeaderInformationTests (../../source/test/core/io/HeaderInformationTests.cxxtest.hh) Running 1 test Test suite: HRFDynamicsEnergyTests (../../source/test/core/scoring/HRFDynamicsEnergy.cxxtest.hh) Running 12 tests Test suite: HullTest (../../source/test/core/membrane/hull.cxxtest.hh) Running 1 test Test suite: IdealParametersDatabaseTests (../../source/test/core/scoring/methods/CartesianBondedEnergy.cxxtest.hh) Running 1 test Test suite: IdentityFuncTests (../../source/test/core/scoring/func/IdentityFunc.cxxtest.hh) Running 9 tests Test suite: ImplicitLipidInfo (../../source/test/core/conformation/membrane/ImplicitLipidInfo.cxxtest.hh) Running 2 tests Test suite: ImportPoseOptionsTests (../../source/test/core/import_pose/ImportPoseOptions.cxxtest.hh) Running 1 test Test suite: IndependentBBTorsionSRFDTests (../../source/test/core/fragment/IndependentBBTorsionSRFD.cxxtest.hh) Running 7 tests Test suite: InteractionGraphFactoryTests (../../source/test/core/pack/interaction_graph/InteractionGraphFactory.cxxtest.hh) Running 2 tests Test suite: InterchainJumpSelectorTests (../../source/test/core/select/jump_selector/InterchainJumpSelector.cxxtest.hh) Running 8 tests Test suite: InterGroupInterfaceByVectorSelectorTests (../../source/test/core/select/residue_selector/InterGroupInterfaceByVectorSelector.cxxtest.hh) Running 2 tests Test suite: IsopeptideBondTests (../../source/test/core/scoring/IsopeptideBondTests.cxxtest.hh) Running 2 tests Test suite: JumpDownstreamSelectorTests (../../source/test/core/select/residue_selector/JumpDownstreamSelector.cxxtest.hh) Running 2 tests Test suite: JumpIndexSelectorTests (../../source/test/core/select/jump_selector/JumpIndexSelector.cxxtest.hh) Running 2 tests Test suite: JumpUpstreamSelectorTests (../../source/test/core/select/residue_selector/JumpUpstreamSelector.cxxtest.hh) Running 1 test Test suite: JumpForResidueTests (../../source/test/core/select/jump_selector/JumpForResidue.cxxtest.hh) Running 1 test Test suite: KarplusFuncTests (../../source/test/core/scoring/func/KarplusFunc.cxxtest.hh) Running 1 test Test suite: KofNConstraintTests (../../source/test/core/scoring/constraints/KofNConstraint.cxxtest.hh) Running 6 tests Test suite: lDDTTest (../../source/test/core/scoring/lddt.cxxtest.hh) Running 1 test Test suite: LinearChainbreakEnergyTests (../../source/test/core/scoring/methods/LinearChainbreakEnergy.cxxtest.hh) Running 1 test Test suite: LinearPenaltyFunctionTests (../../source/test/core/scoring/func/LinearPenaltyFunction.cxxtest.hh) Running 1 test Test suite: LinMemInteractionGraphTests (../../source/test/core/pack/interaction_graph/LinMemInteractionGraph.cxxtest.hh) Running 1 test Test suite: LocalCoordinateConstraintTests (../../source/test/core/scoring/constraints/LocalCoordinateConstraint.cxxtest.hh) Running 1 test Test suite: lipid_PDBs_IO (../../source/test/core/io/PDB_w_lipids_IO.cxxtest.hh) Running 8 tests Test suite: LK_BallEnergyTests (../../source/test/core/scoring/lkball/LK_BallEnergy.cxxtest.hh) Running 8 tests Test suite: LogicResidueSelectorTests (../../source/test/core/select/residue_selector/LogicResidueSelector.cxxtest.hh) Running 7 tests Test suite: MembraneInfoTest (../../source/test/core/conformation/membrane/MembraneInfo.cxxtest.hh) Running 1 test Test suite: LoopGraphTest (../../source/test/core/scoring/loop_graph/LoopGraphTest.cxxtest.hh) Running 1 test Test suite: metalloprotein_import (../../source/test/core/util/metalloprotein_import.cxxtest.hh) Running 11 tests Test suite: MetricValueIOTest (../../source/test/core/util/MetricValueIO.cxxtest.hh) Running 1 test Test suite: MHCEpitopeConstraintTests (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopeConstraint.cxxtest.hh) Running 8 tests Test suite: MHCEpitopeEnergySetupTests_initialization (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopeEnergySetup.cxxtest.hh) Running 9 tests Test suite: MHCEpitopeEnergyTests_Scoring (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopeEnergy.cxxtest.hh) Running 1 test Running 1 test Test suite: MHCEpitopePredictorMatrixTests (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopePredictorMatrix.cxxtest.hh) Test suite: MHCEpitopePredictorExternalTests (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopePredictorExternal.cxxtest.hh) Running 1 test Test suite: MHCEpitopePredictorPreLoadedTests (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopePredictorPreLoaded.cxxtest.hh) Running 1 test Test suite: MHCEpitopePredictorSVMTests (../../source/test/core/scoring/mhc_epitope_energy/MHCEpitopePredictorSVM.cxxtest.hh) Running 1 test Test suite: min_pack_Tests (../../source/test/core/pack/min_pack.cxxtest.hh) Running 8 tests Test suite: MinimizerTests (../../source/test/core/optimization/Minimizer.cxxtest.hh) Running 1 test Test suite: MinMultiHarmonicFuncTests (../../source/test/core/scoring/func/MinMultiHarmonicFunc.cxxtest.hh) Running 3 tests Test suite: MirrorSymmetricConformationTests (../../source/test/core/conformation/symmetry/MirrorSymmetricConformation.cxxtest.hh) Running 5 tests Test suite: MMAtomTypeSetTests (../../source/test/core/chemical/MMAtomTypeSet.cxxtest.hh) Running 1 test Test suite: MixtureFuncTests (../../source/test/core/scoring/func/MixtureFunc.cxxtest.hh) Running 3 tests Running 2 tests Test suite: MMBondAngleEnergyTests (../../source/test/core/scoring/methods/MMBondAngleEnergy.cxxtest.hh) Test suite: MMBondAngleLibraryTests (../../source/test/core/scoring/mm/MMBondAngleLibrary.cxxtest.hh) Running 1 test Test suite: MMBondAngleScoreTests (../../source/test/core/scoring/mm/MMBondAngleScore.cxxtest.hh) Running 4 tests Test suite: mmcif_IO (../../source/test/core/io/mmcif_IO.cxxtest.hh) Running 10 tests Test suite: mmtf_IO (../../source/test/core/io/mmtf_IO.cxxtest.hh) Running 2 tests Test suite: mmtf_util (../../source/test/core/io/mmtf/util.cxxtest.hh) Running 2 tests Test suite: MMTorsionEnergyTests (../../source/test/core/scoring/methods/MMTorsionEnergy.cxxtest.hh) Running 2 tests Test suite: MMTorsionLibraryTests (../../source/test/core/scoring/mm/MMTorsionLibrary.cxxtest.hh) Running 1 test Test suite: MMTorsionScoreTests (../../source/test/core/scoring/mm/MMTorsionScore.cxxtest.hh) Running 2 tests Test suite: MolFileIOReaderTests (../../source/test/core/chemical/sdf/MolFileIOReader.cxxtest.hh) Running 3 tests Test suite: MoveMapFactoryTests (../../source/test/core/select/movemap/MoveMapFactory.cxxtest.hh) Running 3 tests Test suite: MolFileIODataTests (../../source/test/core/chemical/sdf/MolFileIOData.cxxtest.hh) Running 2 tests Test suite: MoveMapTest (../../source/test/core/kinematics/MoveMap.cxxtest.hh) Running 6 tests Test suite: MPHelicalityTests (../../source/test/core/scoring/membrane/MPHelicality.cxxtest.hh) Running 5 tests Running 5 tests Test suite: MPResidueLipophilicityTests (../../source/test/core/scoring/membrane/MPResidueLipophilicity.cxxtest.hh) Test suite: MPSpanInsertionEnergyTests (../../source/test/core/scoring/membrane/MPSpanInsertion.cxxtest.hh) Running 4 tests Test suite: MPSpanAngleEnergyTests (../../source/test/core/scoring/membrane/MPSpanAngle.cxxtest.hh) Running 3 tests Test suite: NamedAngleConstraintTests (../../source/test/core/scoring/constraints/NamedAngleConstraint.cxxtest.hh) Running 1 test Test suite: NCAADunbrackTests (../../source/test/core/pack/dunbrack/NCAA_dunbrack.cxxtest.hh) Running 3 tests Test suite: NamedAtomPairConstraintTests (../../source/test/core/scoring/constraints/NamedAtomPairConstraint.cxxtest.hh) Running 1 test Test suite: NCAACentroidResidueTypeTests (../../source/test/core/chemical/NCAACentroidResidueTypeTests.cxxtest.hh) Running 1 test Test suite: NCAADunbrackTests_betanov15 (../../source/test/core/pack/dunbrack/NCAA_dunbrack_betanov15.cxxtest.hh) Running 8 tests Test suite: NeighborhoodResidueSelectorTests (../../source/test/core/select/residue_selector/NeighborhoodResidueSelector.cxxtest.hh) Running 1 test Test suite: NetChargeEnergyTests_packer (../../source/test/core/scoring/netcharge_energy/NetChargeEnergyTests_packer.cxxtest.hh) Running 1 test Test suite: NetChargeEnergyTests_packer_symm (../../source/test/core/scoring/netcharge_energy/NetChargeEnergyTests_packer_symm.cxxtest.hh) Running 3 tests Test suite: NetChargeEnergyTests_tailfxns (../../source/test/core/scoring/netcharge_energy/NetChargeEnergyTests_tailfxns.cxxtest.hh) Running 1 test Test suite: NMerSVMEnergyTests (../../source/test/core/scoring/methods/NMerSVMEnergy.cxxtest.hh) Running 3 tests Test suite: NMRDummySpinlabelEnsembleTests (../../source/test/core/scoring/nmr/NMRDummySpinlabelEnsemble.cxxtest.hh) Running 5 tests Test suite: NMRSpinlabelTests (../../source/test/core/scoring/nmr/NMRSpinlabel.cxxtest.hh) Running 4 tests Test suite: NomenclatureManagerTestsWCL (../../source/test/core/io/NomenclatureManagerTests.cxxtest.hh) Running 1 test Test suite: NonResidueTypeConstraintTests (../../source/test/core/scoring/constraints/NonResidueTypeConstraint.cxxtest.hh) Running 1 test Test suite: NomenclatureManagerTestsWOCL (../../source/test/core/io/NomenclatureManagerTests.cxxtest.hh) Running 5 tests Test suite: NotJumpSelectorTests (../../source/test/core/select/jump_selector/NotJumpSelector.cxxtest.hh) Running 4 tests Test suite: NotResidueSelectorTests (../../source/test/core/select/residue_selector/NotResidueSelector.cxxtest.hh) Running 5 tests Test suite: NPDHBondEnergyTests (../../source/test/core/scoring/hbonds/NPDHBondEnergy.cxxtest.hh) Running 5 tests Test suite: NPDHBondInteractionGraphTests (../../source/test/core/pack/interaction_graph/NPDHBondInteractionGraph.cxxtest.hh) Running 3 tests Test suite: NumNeighborsSelectorTests (../../source/test/core/select/residue_selector/NumNeighborsSelector.cxxtest.hh) Running 1 test Test suite: NVlookupTests (../../source/test/core/scoring/nv/NVlookup.cxxtest.hh) Running 1 test Test suite: NVscoreTests (../../source/test/core/scoring/nv/NVscore.cxxtest.hh) Running 4 tests Test suite: OccludedHbondSolEnergyTests (../../source/test/core/scoring/geometric_solvation/OccludedHbondSolEnergy.cxxtest.hh) Running 2 tests Test suite: OmegaPreferencesFunctionTests (../../source/test/core/scoring/carbohydrates/OmegaPreferencesFunction.cxxtest.hh) Running 4 tests Test suite: OmegaTetherTests (../../source/test/core/scoring/OmegaTether.cxxtest.hh) Running 4 tests Test suite: OperateOnResidueSubsetTests (../../source/test/core/pack/task/operation/OperateOnResidueSubset.cxxtest.hh) Running 10 tests Test suite: OrbitalsEnergyTests (../../source/test/core/scoring/orbitals/OrbitalsScore.cxxtest.hh) Running 2 tests Test suite: OrbitalTests (../../source/test/core/chemical/OrbitalTests.cxxtest.hh) Running 2 tests Test suite: OrbitalTypeSetTests (../../source/test/core/chemical/orbitals/OrbitalTypeSet.cxxtest.hh) Running 1 test Test suite: OrderedFragSetTest (../../source/test/core/fragment/OrderedFragSet.cxxtest.hh) Running 8 tests Test suite: OrJumpSelectorTests (../../source/test/core/select/jump_selector/OrJumpSelector.cxxtest.hh) Running 6 tests Test suite: OrResidueSelectorTests (../../source/test/core/select/residue_selector/OrResidueSelector.cxxtest.hh) Running 1 test Test suite: P_AA_EnergyTests (../../source/test/core/scoring/methods/P_AA_Energy.cxxtest.hh) Running 1 test Test suite: P_AA_pp_Energy_SymGlyTests (../../source/test/core/scoring/methods/P_AA_pp_Energy_symmgly.cxxtest.hh) Running 1 test Test suite: P_AA_pp_EnergyTests (../../source/test/core/scoring/methods/P_AA_pp_Energy.cxxtest.hh) Running 17 tests Test suite: PackerTaskTests (../../source/test/core/pack/task/PackerTask.cxxtest.hh) Running 4 tests Test suite: PairEnergyTests (../../source/test/core/scoring/methods/PairEnergy.cxxtest.hh) Running 9 tests Test suite: PartialAtomIDTests (../../source/test/core/id/PartialAtomIDTests.cxxtest.hh) Running 1 test Test suite: ParticleSwarmMinimizerTests (../../source/test/core/optimization/ParticleSwarmMinimizer.cxxtest.hh) Running 2 tests Test suite: PCSDataSymmetryTests (../../source/test/core/scoring/nmr/pcs/PCSData_Symmetry.cxxtest.hh) Running 5 tests Test suite: PCSDataTests (../../source/test/core/scoring/nmr/pcs/PCSData.cxxtest.hh) Running 4 tests Test suite: PCSMultiSetTests (../../source/test/core/scoring/nmr/pcs/PCSMultiSet.cxxtest.hh) Running 4 tests Test suite: PCSSingleSetSymmetryTests (../../source/test/core/scoring/nmr/pcs/PCSSingleSet_Symmetry.cxxtest.hh) Running 7 tests Test suite: PCSSingleSetTests (../../source/test/core/scoring/nmr/pcs/PCSSingleSet.cxxtest.hh) Running 4 tests Test suite: PDB_IO (../../source/test/core/io/PDB_IO.cxxtest.hh) Running 2 tests Test suite: PDB_w_glycans_IO (../../source/test/core/io/PDB_w_glycans_IO.cxxtest.hh) Running 3 tests Running 19 tests Test suite: PDBPoseMapTests (../../source/test/core/pose/PDBPoseMap.cxxtest.hh) Test suite: PDBInfoTests (../../source/test/core/pose/PDBInfo.cxxtest.hh) Running 9 tests Test suite: PDBReaderTests (../../source/test/core/io/pdb/pdb_reader.cxxtest.hh) Running 2 tests Test suite: PDBSilentStruct_Tests (../../source/test/core/io/silent/pdb_silent.cxxtest.hh) Running 2 tests Test suite: PeptoidDesignTests (../../source/test/core/pack/PeptoidDesignTests.cxxtest.hh) Running 1 test Running 1 test Test suite: PeptoidResidueTypeTests (../../source/test/core/chemical/PeptoidResidueTypeTests.cxxtest.hh) Test suite: PeriodicFuncTests (../../source/test/core/scoring/func/PeriodicFunc.cxxtest.hh) Running 3 tests Test suite: PhiSelectorTests (../../source/test/core/select/residue_selector/PhiSelector.cxxtest.hh) Running 6 tests Test suite: PolyaramidBackboneMinimizeTests (../../source/test/core/optimization/PolyaramidBackboneMinimize.cxxtest.hh) Running 6 tests Test suite: PolylinearInterpolationTests (../../source/test/core/pack/dunbrack/PolylinearInterpolation.cxxtest.hh) Running 1 test Test suite: PoseFromPDBLoaderTests (../../source/test/core/import_pose/PoseResourceLoader.cxxtest.hh) Running 6 tests Test suite: PoseFromSFRBuilderTests (../../source/test/core/io/pose_from_sfr/PoseFromSFRBuilder.cxxtest.hh) Running 3 tests Test suite: PoseIteratorTests (../../source/test/core/select/iterators.cxxtest.hh) Running 3 tests Test suite: PoseResidueTypeSetTests (../../source/test/core/chemical/PoseResidueTypeSet.cxxtest.hh) Running 1 test Test suite: PoseRNAUtilTests (../../source/test/core/pose/rna/util.cxxtest.hh) Running 9 tests Test suite: PoseTests (../../source/test/core/pose/Pose.cxxtest.hh) Running 13 tests Test suite: PoseUtilTests (../../source/test/core/pose/util.cxxtest.hh) Running 6 tests Test suite: PoseToStructFileRepConverterTests (../../source/test/core/io/pose_to_sfr/PoseToStructFileRepConverter.cxxtest.hh) Running 5 tests Test suite: PREDataTests (../../source/test/core/scoring/nmr/pre/PREData.cxxtest.hh) Running 5 tests Test suite: PREMultiSetTests (../../source/test/core/scoring/nmr/pre/PREMultiSet.cxxtest.hh) Running 6 tests Test suite: ProClosureEnergyTests (../../source/test/core/scoring/methods/ProClosureEnergy.cxxtest.hh) Running 1 test Test suite: ProClosureEnergyTests_noringclose (../../source/test/core/scoring/methods/ProClosureEnergy_noringclose.cxxtest.hh) Running 9 tests Test suite: ProteinSilentTests (../../source/test/core/io/silent/protein_silent.cxxtest.hh) Running 6 tests Test suite: Ramachandran2BTests (../../source/test/core/scoring/Ramachandran2B.cxxtest.hh) Running 1 test Test suite: RamachandranEnergy_SymGlyTests (../../source/test/core/scoring/methods/RamachandranEnergy_symmgly.cxxtest.hh) Running 3 tests Test suite: RamachandranEnergyTests (../../source/test/core/scoring/methods/RamachandranEnergy.cxxtest.hh) Running 1 test Test suite: RamachandranPowerTest (../../source/test/core/scoring/Ramachandran_power.cxxtest.hh) Running 7 tests Test suite: RamachandranTest (../../source/test/core/scoring/Ramachandran.cxxtest.hh) Running 7 tests Test suite: RamaPreProEnergyTests (../../source/test/core/scoring/methods/RamaPreProEnergy.cxxtest.hh) Running 11 tests Test suite: RamaPreProTests (../../source/test/core/scoring/RamaPrePro.cxxtest.hh) Running 4 tests Test suite: RamaPreProTests_oligourea (../../source/test/core/scoring/RamaPrePro_oligourea.cxxtest.hh) Running 4 tests Test suite: RamaPreProTests_symmgly (../../source/test/core/scoring/RamaPrePro_symmgly.cxxtest.hh) Running 1 test Test suite: RandomResidueSelectorTests (../../source/test/core/select/residue_selector/RandomResidueSelector.cxxtest.hh) Running 2 tests Test suite: RDCDataSymmetryTests (../../source/test/core/scoring/nmr/rdc/RDCData_Symmetry.cxxtest.hh) Running 3 tests Test suite: RDCDataTests (../../source/test/core/scoring/nmr/rdc/RDCData.cxxtest.hh) Running 4 tests Test suite: RDCMultiSetSymmetryTests (../../source/test/core/scoring/nmr/rdc/RDCMultiSet_Symmetry.cxxtest.hh) Running 6 tests Test suite: RDCMultiSetTests (../../source/test/core/scoring/nmr/rdc/RDCMultiSet.cxxtest.hh) Running 1 test Test suite: RDMolToRestypeTests (../../source/test/core/chemical/rdkit/RDMolToRestype.cxxtest.hh) Running 1 test Test suite: RecordDefIOTests (../../source/test/core/io/pdb/record_def_io.cxxtest.hh) Running 3 tests Test suite: ReferencePoseTests (../../source/test/core/pose/reference_pose/ReferencePose.cxxtest.hh) Running 2 tests Test suite: ReprotonateTests (../../source/test/core/chemical/modifications/Reprotonate.cxxtest.hh) Running 1 test Test suite: Resfile_Silent (../../source/test/core/pack/task/Resfile_Silent.cxxtest.hh) Running 3 tests Test suite: ResfileReaderTests (../../source/test/core/pack/task/ResfileReader.cxxtest.hh) Running 3 tests Test suite: ResFilterFactoryTests (../../source/test/core/pack/task/operation/ResFilterFactory.cxxtest.hh) Running 2 tests Test suite: residue_io_Tests (../../source/test/core/chemical/residue_io.cxxtest.hh) Running 7 tests Test suite: residue_support_Tests (../../source/test/core/chemical/residue_support.cxxtest.hh) Running 5 tests Test suite: ResidueIndexSelectorTests (../../source/test/core/select/residue_selector/ResidueIndexSelector.cxxtest.hh) Running 9 tests Test suite: ResidueGraphTypesTests (../../source/test/core/chemical/ResidueGraphTypesTests.cxxtest.hh) Running 1 test Test suite: ResidueInSequenceMotifSelectorTest (../../source/test/core/select/residue_selector/ResidueInSequenceMotifSelectorTest.cxxtest.hh) Running 6 tests Test suite: ResidueNameSelectorTests (../../source/test/core/select/residue_selector/ResidueNameSelector.cxxtest.hh) Running 2 tests Test suite: ResiduePDBInfoHasLabelSelectorTests (../../source/test/core/select/residue_selector/ResiduePDBInfoHasLabelSelector.cxxtest.hh) Running 3 tests Test suite: ResiduePropertiesTests (../../source/test/core/chemical/ResidueProperties.cxxtest.hh) Running 2 tests Test suite: ResiduePropertySelectorTests (../../source/test/core/select/residue_selector/ResiduePropertySelectorTests.cxxtest.hh) Running 7 tests Test suite: ResidueSelectorFactoryTests (../../source/test/core/select/residue_selector/ResidueSelectorFactory.cxxtest.hh) Running 1 test Test suite: ResidueRangesTests (../../source/test/core/select/residue_selector/ResidueRanges.cxxtest.hh) Running 10 tests Test suite: ResidueTest (../../source/test/core/conformation/Residue.cxxtest.hh) Running 1 test Test suite: ResidueTypeBloatTests (../../source/test/core/chemical/ResidueTypeBloatTests.cxxtest.hh) Running 1 test Test suite: ResidueTypeConstraintTests (../../source/test/core/scoring/constraints/ResidueTypeConstraint.cxxtest.hh) Running 9 tests Running 6 tests Test suite: ResidueTypeFinderTests (../../source/test/core/chemical/ResidueTypeFinderTests.cxxtest.hh) Test suite: ResidueTypeLinkingConstraintTests (../../source/test/core/scoring/constraints/ResidueTypeLinkingConstraint.cxxtest.hh) Running 14 tests Test suite: ResidueTypeSetCacheConcurrencyTests (../../source/test/core/chemical/ResidueTypeSetCacheConcurrencyTests.cxxtest.hh) Running 2 tests Test suite: ResidueTypeSetTests (../../source/test/core/chemical/ResidueTypeSetTests.cxxtest.hh) Running 9 tests Test suite: ResidueTypeTests (../../source/test/core/chemical/ResidueTypeTests.cxxtest.hh) Running 3 tests Test suite: ResLvlTaskOperationFactoryTests (../../source/test/core/pack/task/operation/ResLvlTaskOperationFactory.cxxtest.hh) Running 3 tests Test suite: RestypeToRDMolTests (../../source/test/core/chemical/rdkit/RestypeToRDMol.cxxtest.hh) Running 1 test Test suite: RG_Energy_Tests (../../source/test/core/scoring/methods/RG_Energy.cxxtest.hh) Running 4 tests Test suite: RingClosureEnergyTests (../../source/test/core/scoring/methods/RingClosureEnergy.cxxtest.hh) Running 1 test Test suite: RingConformerIOTests (../../source/test/core/chemical/rings/ring_conformer_io.cxxtest.hh) Running 3 tests Test suite: RingConformerSetTests (../../source/test/core/chemical/rings/RingConformerSet.cxxtest.hh) Running 2 tests Test suite: RingUtilityFunctionTests (../../source/test/core/chemical/rings/util.cxxtest.hh) Running 7 tests Test suite: RmsUtilTest (../../source/test/core/scoring/rms_util.cxxtest.hh) Running 3 tests Test suite: RNA_FA_ElecEnergyTests (../../source/test/core/scoring/elec/RNA_FA_ElecEnergy.cxxtest.hh) Running 1 test Test suite: RNA_ScoreFunctionTest (../../source/test/core/scoring/test_rna_sfxn.cxxtest.hh) Running 1 test Test suite: RotamerBuildingFunctionsTests (../../source/test/core/pack/rotamer_set/rotamer_building_functions.cxxtest.hh) Running 2 tests Test suite: RotamerConstraintDun2002Tests (../../source/test/core/pack/dunbrack/RotamerConstraintDun2002.cxxtest.hh) Running 21 tests Test suite: RotamerDotsTests (../../source/test/core/pack/interaction_graph/RotamerDots.cxxtest.hh) Running 6 tests Test suite: RotamerSetsTests (../../source/test/core/pack/rotamer_set/RotamerSet.cxxtest.hh) Running 1 test Test suite: RotamerSubsetsTest (../../source/test/core/pack/rotamer_set/RotamerSubsets.cxxtest.hh) Running 1 test Test suite: RotamerTrials (../../source/test/core/pack/RotamerTrials.cxxtest.hh) Running 2 tests Test suite: RotamerUtils (../../source/test/core/pack/util.cxxtest.hh) Running 5 tests Test suite: RTConstraintTests (../../source/test/core/scoring/constraints/RTConstraint.cxxtest.hh) Running 2 tests Test suite: rtmin_setup_Tests (../../source/test/core/pack/scmin/rtmin_setup.cxxtest.hh) Running 7 tests Test suite: SapConstraintEnergyTests (../../source/test/core/pack/guidance_scoreterms/sap/SapConstraintEnergy.cxxtest.hh) Running 4 tests Test suite: SasaTests (../../source/test/core/scoring/sasa.cxxtest.hh) Running 2 tests Test suite: ScalarWeightedFuncTests (../../source/test/core/scoring/func/ScalarWeightedFunc.cxxtest.hh) ERROR: Trying to add a bonus value to an existing bonus_map_ key, and overwrite is false. ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/scoring/constraints/ResidueTypeLinkingConstraint.cc line: 137 ERROR: Bonus map must have two-residue keys (e.g. 'AK'), not D ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/scoring/constraints/ResidueTypeLinkingConstraint.cc line: 161 ERROR: Bonus map must have two-residue keys (e.g. 'AK'), not DIY ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/scoring/constraints/ResidueTypeLinkingConstraint.cc line: 161 Running 1 test Test suite: SCMinMultifuncTests (../../source/test/core/pack/scmin/SCMinMultifunc.cxxtest.hh) Running 1 test Test suite: SCMinMinimizerMapTests (../../source/test/core/pack/scmin/SCMinMinimizerMap.cxxtest.hh) Running 5 tests Test suite: ScoreFunctionFactoryTest (../../source/test/core/scoring/ScoreFunctionFactory.cxxtest.hh) Running 1 test Test suite: ScoreFunctionUtilityTest (../../source/test/core/scoring/ScoreFunctionFactory.cxxtest.hh) Running 6 tests Test suite: ScoreFunctionTest (../../source/test/core/scoring/ScoreFunction.cxxtest.hh) Running 1 test Test suite: ScoreTestCore (../../source/test/core/scoring/ScoreTest.cxxtest.hh) Running 2 tests Test suite: ScoringSchemeTests (../../source/test/core/sequence/ScoringSchemes.cxxtest.hh) Running 1 test Test suite: ScTests (../../source/test/core/scoring/sc.cxxtest.hh) Running 5 tests Test suite: SecondaryStructureSelectorTests (../../source/test/core/select/residue_selector/SecondaryStructureSelector.cxxtest.hh) Running 2 tests Test suite: SelectedResidueCountMetricTests (../../source/test/core/simple_metrics/metrics/SelectedResidueCountMetricTests.cxxtest.hh) Running 8 tests Test suite: SelectorLogicParserTests (../../source/test/core/select/residue_selector/SelectorLogicParser.cxxtest.hh) Running 9 tests Running 9 tests Test suite: SequenceMappingTests (../../source/test/core/id/SequenceMapping.cxxtest.hh) Test suite: SequenceAlignmentTests (../../source/test/core/sequence/SequenceAlignment.cxxtest.hh) Running 4 tests Test suite: SequenceMetricTests (../../source/test/core/simple_metrics/metrics/SequenceMetricTests.cxxtest.hh) Running 1 test Test suite: SequenceMotifUtilTests (../../source/test/core/sequence/SequenceMotifUtilTests.cxxtest.hh) Running 8 tests Test suite: SequenceProfile_Tests (../../source/test/core/sequence/SequenceProfile.cxxtest.hh) Running 1 test Test suite: SequenceProfileConstraintTests (../../source/test/core/scoring/constraints/SequenceProfileConstraint.cxxtest.hh) Running 2 tests Test suite: SequenceSimilarityMetricTests (../../source/test/core/simple_metrics/metrics/SequenceSimilarityMetricTests.cxxtest.hh) Running 10 tests Test suite: SequenceSymmetricAnnealerTests (../../source/test/core/pack/annealer/SequenceSymmetricAnnealer.cxxtest.hh) Running 4 tests Test suite: SequenceUtilTests (../../source/test/core/sequence/SequenceUtil.cxxtest.hh) Running 1 test Test suite: SigmoidFuncTests (../../source/test/core/scoring/func/SigmoidFunc.cxxtest.hh) Running 2 tests Test suite: SimpleInteractionGraphTests (../../source/test/core/pack/interaction_graph/SimpleInteractionGraph.cxxtest.hh) Running 2 tests Test suite: SimpleMetricSelectorTests (../../source/test/core/select/residue_selector/SimpleMetricSelector.cxxtest.hh) Running 14 tests Test suite: SimpleMetricTests (../../source/test/core/simple_metrics/SimpleMetricTests.cxxtest.hh) Running 2 tests Test suite: SingleLigandRotamerLibraryTests (../../source/test/core/pack/rotamers/SingleLigandRotamerLibrary.cxxtest.hh) Running 1 test Test suite: single_mol_loading_Tests (../../source/test/core/chemical/sdf/single_mol_loading.cxxtest.hh) Running 15 tests Test suite: SingleNCAARotamerLibraryTests (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests.cxxtest.hh) Running 3 tests Test suite: SingleNCAARotamerLibraryTests_Dun02 (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests_Dun02.cxxtest.hh) Running 3 tests Test suite: SingleNCAARotamerLibraryTests_Dun02_no_voronoi (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests_Dun02_no_voronoi.cxxtest.hh) Running 3 tests Test suite: SingleNCAARotamerLibraryTests_equivalency_no_voronoi (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests_equivalency_no_voronoi.cxxtest.hh) Running 3 tests Test suite: SingleNCAARotamerLibraryTests_equivalency_voronoi (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests_equivalency_voronoi.cxxtest.hh) Running 2 tests Test suite: SingleNCAARotamerLibraryTests_oligourea (../../source/test/core/pack/rotamers/SingleNCAARotamerLibraryTests_oligourea.cxxtest.hh) Running 2 tests Test suite: SingleResidueRotamerLibraryTests (../../source/test/core/pack/rotamers/SingleResidueRotamerLibrary.cxxtest.hh) Running 3 tests Test suite: SiteConstraintTests (../../source/test/core/scoring/constraints/SiteConstraint.cxxtest.hh) Running 1 test Test suite: SkipViolFuncTests (../../source/test/core/scoring/func/SkipViolFunc.cxxtest.hh) Running 1 test Test suite: SliceResidueSelectorTests (../../source/test/core/select/residue_selector/SliceResidueSelector.cxxtest.hh) Running 1 test Test suite: SoedingFuncTests (../../source/test/core/scoring/func/SoedingFunc.cxxtest.hh) Running 2 tests Test suite: SOGFuncTests (../../source/test/core/scoring/func/SOGFunc.cxxtest.hh) Running 9 tests Test suite: SpanningTopologyTest (../../source/test/core/conformation/membrane/SpanningTopology.cxxtest.hh) Running 1 test Test suite: SpanTest (../../source/test/core/conformation/membrane/Span.cxxtest.hh) Running 2 tests Test suite: SplineFuncTests (../../source/test/core/scoring/func/SplineFunc.cxxtest.hh) Running 3 tests Test suite: SplitUnfoldedReferenceEnergyTests (../../source/test/core/scoring/methods/SplitUnfoldedTwoBodyEnergy.cxxtest.hh) Running 1 test Test suite: SplitUnfoldedTwoBodyPotentialTests (../../source/test/core/scoring/SplitUnfoldedTwoBodyPotential.cxxtest.hh) Running 1 test Test suite: SquareWell2FuncTests (../../source/test/core/scoring/func/SquareWell2Func.cxxtest.hh) Running 2 tests Test suite: StoredRotamerLibrarySpecificationTests (../../source/test/core/pack/rotamers/StoredRotamerLibrarySpecification.cxxtest.hh) Running 1 test Test suite: SquareWellFuncTests (../../source/test/core/scoring/func/SquareWellFunc.cxxtest.hh) Running 2 tests Test suite: StructFileRepOptionsTests (../../source/test/core/io/StructFileRepOptions.cxxtest.hh) Running 2 tests Test suite: StructFileReaderOptionsTests (../../source/test/core/io/StructFileReaderOptions.cxxtest.hh) Running 4 tests Test suite: StructFileRepTests (../../source/test/core/io/StructFileRep.cxxtest.hh) Running 1 test Test suite: SugarBackboneEnergyTests (../../source/test/core/scoring/methods/SugarBackboneEnergy.cxxtest.hh) Running 1 test Test suite: SumFuncTests (../../source/test/core/scoring/func/SumFunc.cxxtest.hh) Running 5 tests Test suite: SurfaceInteractionGraphTests (../../source/test/core/pack/interaction_graph/SurfaceInteractionGraph.cxxtest.hh) Running 8 tests Test suite: SurfacePotentialTests (../../source/test/core/scoring/SurfacePotential.cxxtest.hh) Running 1 test Test suite: SymmDataLoaderTests (../../source/test/core/conformation/symmetry/SymmDataLoader.cxxtest.hh) Running 17 tests Test suite: SymmDL_NCAA_betaTests (../../source/test/core/scoring/SymmDL_NCAA_beta.cxxtest.hh) Running 20 tests Test suite: SymmDL_beta_Tests (../../source/test/core/scoring/SymmDL_beta.cxxtest.hh) ERROR: wrapped index has gone below 1! Set=-3 wrapped=0 from set greater than to! from=1 to=0 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: from set greater than to! from=2 to=1 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: index has exceeded selection range! Set=3 range_size=2 index has exceeded selection range! Set=3 range_size=2 from set greater than to! from=3 to=2 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: wrapped index has gone below 1! Set=-3 wrapped=0 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: index has exceeded selection range! Set=3 range_size=2 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: index has exceeded selection range! Set=5 range_size=4 index has exceeded selection range! Set=5 range_size=4 from set greater than to! from=5 to=4 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 ERROR: index has exceeded selection range! Set=5 range_size=4 index has exceeded selection range! Set=5 range_size=4 from set greater than to! from=5 to=4 set "-out:levels core.select.residue_selector.SliceResidueSelector:400" to debug! ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/select/residue_selector/SliceResidueSelector.cc line: 184 Running 17 tests Test suite: SymmDL_NCAATests (../../source/test/core/scoring/SymmDL_NCAA.cxxtest.hh) Running 18 tests Test suite: SymmDL_nmethyl_Tests (../../source/test/core/scoring/SymmDL_nmethyl.cxxtest.hh) Running 19 tests Test suite: SymmDL_peptoid_Tests (../../source/test/core/scoring/SymmDL_peptoid.cxxtest.hh) Running 20 tests Test suite: SymmDLMin_beta_Tests (../../source/test/core/scoring/SymmDLMin_beta.cxxtest.hh) Running 17 tests Test suite: SymmDLMin_NCAA_betaTests (../../source/test/core/scoring/SymmDLMin_NCAA_beta.cxxtest.hh) Running 17 tests Test suite: SymmDLMin_NCAATests (../../source/test/core/scoring/SymmDLMin_NCAA.cxxtest.hh) Running 20 tests Test suite: SymmDLMin_nmethyl_beta_Tests (../../source/test/core/scoring/SymmDLMin_nmethyl_beta.cxxtest.hh) Running 20 tests Test suite: SymmDLMin_peptoid_beta_Tests (../../source/test/core/scoring/SymmDLMin_peptoid_beta.cxxtest.hh) Running 18 tests Test suite: SymmDLMin_nmethyl_Tests (../../source/test/core/scoring/SymmDLMin_nmethyl.cxxtest.hh) Running 18 tests Test suite: SymmDLMin_peptoid_Tests (../../source/test/core/scoring/SymmDLMin_peptoid.cxxtest.hh) Running 18 tests Test suite: SymmDLMinTests (../../source/test/core/scoring/SymmDLMin.cxxtest.hh) Running 18 tests Test suite: SymmDLTests (../../source/test/core/scoring/SymmDL.cxxtest.hh) Running 1 test Test suite: Symmetric_Binary_Protein_Silent_File_Tests (../../source/test/core/io/silent/symmetric_binary_protein_silent.cxxtest.hh) Residue 1 is ->3)-beta-D-Manp:reducing_end:->4)-branch:->6)-branch Residue 2 is ->4)-alpha-D-Manp:non-reducing_end Residue 3 is ->4)-beta-D-Glcp:non-reducing_end:2-AcNH Residue 4 is ->4)-alpha-D-Manp:non-reducing_end Running 1 test Test suite: SymmetricConformationTests (../../source/test/core/conformation/symmetry/SymmetricConformation.cxxtest.hh) Running 4 tests Test suite: SymmetricMinimizerTests (../../source/test/core/optimization/symmetry/SymmetricMinimizer.cxxtest.hh) Running 1 test Test suite: SymmetricRotamerTrials (../../source/test/core/pack/SymmetricRotamerTrials.cxxtest.hh) Running 2 tests Test suite: SymmetryUtilTests (../../source/test/core/pose/symmetry/util.cxxtest.hh) Running 1 test Test suite: SymmetricScoreTest (../../source/test/core/scoring/symmetry/SymmetricScoreTest.cxxtest.hh) Running 16 tests Test suite: SymmGly_betanov15_Tests (../../source/test/core/scoring/SymmGly_betanov15.cxxtest.hh) Running 19 tests Test suite: SymmGlyMin_betanov15_Tests (../../source/test/core/scoring/SymmGlyMin_betanov15.cxxtest.hh) Running 17 tests Test suite: SymmGlyMinTests (../../source/test/core/scoring/SymmGlyMin.cxxtest.hh) Running 14 tests Test suite: SymmGlyTests (../../source/test/core/scoring/SymmGly.cxxtest.hh) Running 2 tests Test suite: SymmLinMemInteractionGraphTests (../../source/test/core/pack/interaction_graph/SymmLinMemInteractionGraph.cxxtest.hh) Test: 9.75511 8.27401 Running 1 test Test suite: SymmMinimalistInteractionGraphTests (../../source/test/core/pack/interaction_graph/SymmMinimalistInteractionGraph.cxxtest.hh) Running 2 tests Test suite: TableVsAnalyticEtableTests (../../source/test/core/scoring/etable/TableVsAnalyticEtable.cxxtest.hh) Running 5 tests Test suite: TaskOperationFactoryTests (../../source/test/core/pack/task/operation/TaskOperationFactory.cxxtest.hh) Test: 23.3081 11.7039 Running 6 tests Test suite: TaskOperationsTests (../../source/test/core/pack/task/operation/TaskOperations.cxxtest.hh) Running 3 tests Test suite: TaskUtilTests (../../source/test/core/pack/task/TaskUtilTests.cxxtest.hh) Running 1 test Test suite: TestAsymmetricUnitSelector (../../source/test/core/select/residue_selector/TestAsymmetricUnitSelector.cxxtest.hh) Running 2 tests Test suite: TestAutoDetectGlycanConnections (../../source/test/core/io/carbohydrates/TestAutoDetectGlycanConnections.cxxtest.hh) Running 3 tests Test suite: TestCyclicCoordinateDescentMath (../../source/test/core/numeric_tests_using_pose/cyclic_coordinate_descent.cxxtest.hh) Running 1 test Test suite: TopOutFuncTests (../../source/test/core/scoring/func/TopOutFunc.cxxtest.hh) Running 2 tests Test suite: ThreeLetterCodeAmbiguityTests (../../source/test/core/import_pose/3-letter_code_ambiguity_resolution.cxxtest.hh) Running 1 test Test suite: UltraLightResidueTests (../../source/test/core/conformation/UltraLightResidue.cxxtest.hh) Running 3 tests Test suite: UnfoldedStateEnergyTests (../../source/test/core/scoring/methods/UnfoldedStateEnergy.cxxtest.hh) Running 2 tests Test suite: UnfoldedStatePotentialTests (../../source/test/core/scoring/UnfoldedStatePotential.cxxtest.hh) Running 1 test Running 2 tests Test suite: USOGFuncTests (../../source/test/core/scoring/func/USOGFunc.cxxtest.hh) Test suite: UseBicubicInterpolationTest (../../source/test/core/scoring/use_bicubic_interpolation.cxxtest.hh) Running 1 test Test suite: UtilTest (../../source/test/core/fragment/util.cxxtest.hh) Running 22 tests Test suite: ValenceHandlerTests (../../source/test/core/chemical/modifications/ValenceHandler.cxxtest.hh) Running 1 test Test suite: ValidateDefaultBinariesTests (../../source/test/core/pack/dunbrack/ValidateDunbrackBinaries.cxxtest.hh) Running 1 test Test suite: ValidateBetaBinariesTests (../../source/test/core/pack/dunbrack/ValidateDunbrackBinaries.cxxtest.hh) Running 1 test Test suite: ValidateDun02BinariesTests (../../source/test/core/pack/dunbrack/ValidateDunbrackBinaries.cxxtest.hh) Running 1 test Test suite: ValidateDun02CorrectBinariesTests (../../source/test/core/pack/dunbrack/ValidateDunbrackBinaries.cxxtest.hh) Running 1 test Test suite: ValidateTalarisBinariesTests (../../source/test/core/pack/dunbrack/ValidateDunbrackBinaries.cxxtest.hh) Running 3 tests Test suite: VallTests (../../source/test/core/fragment/picking/vall/vall.cxxtest.hh) Running 1 test Test suite: VDW_EnergyTests (../../source/test/core/scoring/vdwaals/VDW_Energy.cxxtest.hh) Running 2 tests Test suite: VirtualResidueScoreTest (../../source/test/core/scoring/VirtualResidues.cxxtest.hh) Running 1 test Test suite: VoidsPenaltyEnergyTests_symm (../../source/test/core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyEnergyTests_symm.cxxtest.hh) Running 1 test Test suite: VoidsPenaltyEnergyTests (../../source/test/core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyEnergyTests.cxxtest.hh) Running 2 tests Test suite: VoidsPenaltyVoxelGridTests (../../source/test/core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyVoxelGridTests.cxxtest.hh) Running 1 test Test suite: VoidsPenaltyVoxelGridTests_rotamer_setup_2 (../../source/test/core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyVoxelGridTests_rotamer_setup_2.cxxtest.hh) Running 1 test Test suite: VoidsPenaltyVoxelGridTests_rotamer_setup (../../source/test/core/pack/guidance_scoreterms/voids_penalty_energy/VoidsPenaltyVoxelGridTests_rotamer_setup.cxxtest.hh) Running 6 tests Test suite: WaterMediatedHbondMetricTests (../../source/test/core/simple_metrics/WaterMediatedHbondMetricTests.cxxtest.hh) Running 3 tests Test suite: YHHPlanarityEnergyTests (../../source/test/core/scoring/methods/YHHPlanarityEnergy.cxxtest.hh) Running 1 test Test suite: AchievementMonitorTests (../../source/test/game/application/novice/boinc/AchievementMonitor.cxxtest.hh) ***** TEST AchievementMonitorTests test_nothing ***** *********************************************************************** * * * * * game:AchievementMonitorTests * * DISABLED DUE TO MISSING IMPLEMENTATION * * * * * *********************************************************************** Running 1 test Test suite: GameApplicationTests_gallery (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_gallery test_gallery_puzzles ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. *********************************************************************** * * * * * game:GameApplicationTests_gallery * * DISABLED DUE TO MISSING PUZZLE FILES ON THE SERVER * * * * * *********************************************************************** Running 1 test Test suite: GameApplicationTests_legal (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_legal test_legal_dialog_online ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. *********************************************************************** * * * * * GameApplicationTests_legal * * DISABLED DUE TO MISSING LEGAL COPY ON THE SERVER * * * * * *********************************************************************** Running 1 test Test suite: GameApplicationTests_login (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_login test_login ***** Running 1 test Test suite: GameApplicationTests_normal (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_normal test_normal_puzzles ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. *********************************************************************** * * * * * game:GameApplicationTests_login * * DISABLED DUE TO MISSING PUZZLE FILES ON THE SERVER * * * * * *********************************************************************** Completed Game Application Test setup. *********************************************************************** * * * * * game:GameApplicationTests_normal * * DISABLED DUE TO MISSING PUZZLE FILES ON THE SERVER * * * * * *********************************************************************** Running 1 test Test suite: GameApplicationTests_restore_best (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_restore_best test_restore_best ***** Running 1 test Test suite: GameApplicationTests_switch (../../source/test/game/application/novice/GameApplication.cxxtest.hh) ***** TEST GameApplicationTests_switch test_switch_local_puzzles ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline Trying to click on play offline Running 2 tests Test suite: IntroPuzzleJsonDataLoadTests (../../source/test/game/application/novice/IntroPuzzleJsonDataLoad.cxxtest.hh) ***** TEST IntroPuzzleJsonDataLoadTests test_intro_puzzle_json_data_load ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Testing Sidechain levels Testing Backbone levels Testing HBond levels Testing Hydro levels Testing Condition levels Testing Tool levels Testing Sequence levels Testing Blueprint levels Running 2 tests Test suite: LevelRecorderTests (../../source/test/game/application/novice/LevelRecorder.cxxtest.hh) ***** TEST LevelRecorderTests test_file_IO ***** Testing Design levels Testing Molecule levels DELAY TIME: 4.67342e-310 DELAY TIME: 4.67342e-310 DELAY TIME: 4.67342e-310 ***** TEST LevelRecorderTests test_read_file ***** SCORE: 6.95308e-310 SCORE: 6.95308e-310 SCORE: 6.95308e-310 SCORE: 6.95308e-310 SCORE: 6669 SCORE: 111.709 SCORE: 111.709 SCORE: 6414.07 SCORE: 6414.07 SCORE: 4125.21 SCORE: 4125.21 SCORE: 6414.07 SCORE: 6414.07 SCORE: 6433.24 SCORE: 6414.07 Running 2 tests Test suite: LocalVersionTests (../../source/test/game/util/local_version.cxxtest.hh) ***** TEST LocalVersionTests test_local_version ***** Cannot open local version file: version-test.txt. Cannot open local version file: version-test.txt. ***** TEST LocalVersionTests test_startup_functions ***** Running 2 tests Test suite: PuzzleTests (../../source/test/game/application/novice/boinc/Puzzle.cxxtest.hh) ***** TEST PuzzleTests test_puzzle_local ***** Running 1 test Test suite: NotificationTests (../../source/test/game/application/novice/boinc/Notification.cxxtest.hh) ***** TEST NotificationTests test_nothing ***** *********************************************************************** * * * * * game:NotificationTests * * DISABLED DUE TO MISSING IMPLEMENTATION * * * * * *********************************************************************** -- Checking Puzzle Test Puzzle 0000000001 Checking puzzle 1 Running 1 test Test suite: ScoreVersionTests (../../source/test/game/util/score_version.cxxtest.hh) ***** TEST ScoreVersionTests test_score_version ***** Running 8 tests Test suite: ServerTests (../../source/test/game/application/novice/server/Server.cxxtest.hh) ***** TEST ServerTests test_login ***** Running 4 tests Test suite: SolutionTests (../../source/test/game/application/novice/Solution.cxxtest.hh) ***** TEST SolutionTests test_event_list ***** ***** TEST SolutionTests test_player_data_list ***** ***** TEST SolutionTests test_write_read_solution_metadata ***** ***** TEST SolutionTests test_load_solution ***** Running 1 test Test suite: UpdaterTests (../../source/test/game/application/novice/boinc/Updater.cxxtest.hh) ***** TEST UpdaterTests test_updater ***** *********************************************************************** * * * * * game:UpdaterTests:test_updater * * DISABLED DUE TO MISSING COMPONENT FILES ON THE SERVER * * * * * *********************************************************************** *********************************************************************** * * * * * game:SolutionTests:test_load_solution * * DISABLED DUE TO MISSING PUZZLE FILES ON THE SERVER * * * * * *********************************************************************** Running 1 test Test suite: GameApplicationMacroTests_general (../../source/test/game_macro/application/novice/GameApplicationMacro.cxxtest.hh) ***** TEST GameApplicationMacroTests_general test_script_general ***** Running 1 test Test suite: GameApplicationMacroTests_blue_fuse (../../source/test/game_macro/application/novice/GameApplicationMacro.cxxtest.hh) ***** TEST GameApplicationMacroTests_blue_fuse test_script_check_blue_fuse ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline Running 1 test Test suite: GameApplicationMacroTests_lws (../../source/test/game_macro/application/novice/GameApplicationMacro.cxxtest.hh) ***** TEST GameApplicationMacroTests_lws test_script_check_lws ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline Running 1 test Test suite: GameApplicationMacroTests_rebuild (../../source/test/game_macro/application/novice/GameApplicationMacro.cxxtest.hh) ***** TEST GameApplicationMacroTests_rebuild test_script_check_rebuild ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline Running 1 test Test suite: GameApplicationMacroTests_scoring (../../source/test/game_macro/application/novice/GameApplicationMacro.cxxtest.hh) ***** TEST GameApplicationMacroTests_scoring test_script_scoring ***** Running 1 test Test suite: ActionDeleteResidueTests (../../source/test/interactive/application/actions/ActionDeleteResidue.cxxtest.hh) ***** TEST ActionDeleteResidueTests test_action_delete_residue ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Completed Game Application Test setup. Trying to click on play offline GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 2 tests Test suite: ActionGlobalWiggleTests (../../source/test/interactive/application/actions/ActionGlobalWiggle.cxxtest.hh) ***** TEST ActionGlobalWiggleTests test_basic_global_wiggle ***** Running 1 test Test suite: ActionInsertResidueTests (../../source/test/interactive/application/actions/ActionInsertResidue.cxxtest.hh) ***** TEST ActionInsertResidueTests test_action_insert_residue ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: ActionLigandUtilTests (../../source/test/interactive/application/actions/ligand/ligand_util.cxxtest.hh) ***** TEST ActionLigandUtilTests test_rdkit_reprotonate ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: ActionLocalWiggleTests (../../source/test/interactive/application/actions/ActionLocalWiggle.cxxtest.hh) ***** TEST ActionLocalWiggleTests test_action_local_wiggle ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: ActionReplaceResidueTests (../../source/test/interactive/application/actions/ActionReplaceResidue.cxxtest.hh) ***** TEST ActionReplaceResidueTests test_action_replace_residue ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 2 tests Test suite: ActionShakeMutateTests (../../source/test/interactive/application/actions/ActionShakeMutate.cxxtest.hh) ***** TEST ActionShakeMutateTests test_basic_shake_mutate ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 >>>>>>>>>>>>>>>>>>>>>>>>> 1 StartingScore: 40.5715 40.5715 -- Checking Puzzle Test Puzzle 0000000002 Checking puzzle 2 >>>>>>>>>>>>>>>>>>>>>>>>> 2 StartingScore: -104.067 -104.067 -- Checking Puzzle Test Puzzle 0000000004 Checking puzzle 4 Running 1 test Test suite: ActionTrimPoseTests (../../source/test/interactive/application/actions/ActionTrimPose.cxxtest.hh) ***** TEST ActionTrimPoseTests test_action_temporary_pose ***** >>>>>>>>>>>>>>>>>>>>>>>>> 4 StartingScore: 2.37583 2.37582 -- Checking Puzzle Test Puzzle 0000000005 Checking puzzle 5 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: AtomicCounterTests (../../source/test/interactive/util/AtomicCounter.cxxtest.hh) ***** TEST AtomicCounterTests test_atomic_counter ***** Starting thread 0 Starting thread 1 Starting thread 2 Completed thread 0 Completed thread 1 Completed thread 2 >>>>>>>>>>>>>>>>>>>>>>>>> 5 StartingScore: 2.37583 2.37582 -- Checking Puzzle Test Puzzle 0000000006 Checking puzzle 6 Running 1 test Test suite: BidirectionalSequenceMappingTests (../../source/test/interactive/util/BidirectionalSequenceMapping.cxxtest.hh) ***** TEST BidirectionalSequenceMappingTests test_mapping ***** Running 3 tests Test suite: BinaryStreamTests (../../source/test/interactive/util/binary_stream.cxxtest.hh) ***** TEST BinaryStreamTests test_primitive ***** ***** TEST BinaryStreamTests test_simple ***** ***** TEST BinaryStreamTests test_utility ***** >>>>>>>>>>>>>>>>>>>>>>>>> 6 StartingScore: 2.3758 2.37582 -- Checking Puzzle Test Puzzle 0000000008 Checking puzzle 8 Running 3 tests Test suite: BindFunctionTests (../../source/test/interactive/util/bind.cxxtest.hh) MEM1 before one: 0 MEM1 after one: 3 MEM1 after three: 9 Deleting TestClass Done with basic tests Done with OP tests Deleting TestClass Done with parameter tests Deleting TestClass FOLD_TREE EDGE 37 36 1 EDGE 36 1 -1 >>>>>>>>>>>>>>>>>>>>>>>>> 8 StartingScore: 27.2434 27.2434 -- Checking Puzzle Test Puzzle 0000000009 Checking puzzle 9 Running 1 test Test suite: BuriedUnsatisfiedPolarsCalculatorTests (../../source/test/interactive/util/BuriedUnsatisfiedPolarsCalculator.cxxtest.hh) ***** TEST BuriedUnsatisfiedPolarsCalculatorTests test_match ***** Running 3 tests Test suite: COWDataTests (../../source/test/interactive/util/COWData.cxxtest.hh) ***** TEST COWDataTests test_cow_data ***** ***** TEST COWDataTests test_cow_counts ***** ***** TEST COWDataTests test_cow_threading ***** iteration: 1 iteration: 51 iteration: 101 iteration: 151 iteration: 201 iteration: 251 iteration: 301 iteration: 351 iteration: 401 iteration: 451 iteration: 501 iteration: 551 iteration: 601 iteration: 651 iteration: 701 iteration: 751 iteration: 801 iteration: 851 iteration: 901 iteration: 951 Running 4 tests Test suite: DictionaryTests (../../source/test/interactive/util/Dictionary.cxxtest.hh) ***** TEST DictionaryTests test_csv ***** ***** TEST DictionaryTests test_stream ***** { "comma" : ",some,commas," "foo" : "bar" "lots" : "\#\\\#,asdf \n \"''\" 1234" "numbers" : "123 456" "quotes" : "\"quotes\"" "slashes" : "\\\\\\\\" "whitespace" : "\n \t \n" } ***** TEST DictionaryTests test_binary ***** ***** TEST DictionaryTests test_get ***** Running 3 tests Test suite: DistogramTests (../../source/test/interactive/util/Distogram.cxxtest.hh) ***** TEST DistogramTests test_read_csv ***** Reading distogram from file: ../interactive/util/good_distogram.csv Reading distogram from file: ../interactive/util/bad_distogram_1.csv Reading distogram from file: ../interactive/util/bad_distogram_2.csv Reading distogram from file: ../interactive/util/bad_distogram_3.csv Reading distogram from file: ../interactive/util/bad_distogram_4.csv ***** TEST DistogramTests test_softmax ***** ***** TEST DistogramTests test_calculate_ce ***** >>>>>>>>>>>>>>>>>>>>>>>>> 9 StartingScore: 197.172 197.172 -- Checking Puzzle Test Puzzle 0000000010 Checking puzzle 10 Running 2 tests Test suite: DofTetherSetupTests (../../source/test/interactive/util/DofTetherSetup.cxxtest.hh) ***** TEST DofTetherSetupTests test_dof_tether_scoring ***** FOLD_TREE EDGE 36 18 1 EDGE 18 1 -1 EDGE 18 35 -1 Reference foldtree: FOLD_TREE EDGE 37 19 1 EDGE 19 1 -1 EDGE 19 36 -1 Actual foldtree: FOLD_TREE EDGE 36 18 1 EDGE 18 1 -1 EDGE 18 35 -1 checking 1 1 1 checking 1 1 2 checking 1 1 3 checking 1 1 4 checking 1 2 1 checking 1 2 2 checking 1 2 3 checking 1 2 4 checking 2 1 1 checking 2 1 2 checking 2 1 3 checking 2 1 4 checking 2 2 1 checking 2 2 2 checking 2 2 3 checking 2 2 4 checking 3 1 1 checking 3 1 2 checking 3 1 3 Reference foldtree: FOLD_TREE EDGE 37 18 1 EDGE 18 1 -1 EDGE 18 36 -1 Actual foldtree: FOLD_TREE EDGE 38 19 1 EDGE 19 1 -1 EDGE 19 37 -1 checking 3 1 4 checking 3 2 1 checking 3 2 2 checking 3 2 3 checking 3 2 4 ***** TEST DofTetherSetupTests test_dof_tether_coverage ***** Running 11 tests Test suite: FilterTests (../../source/test/interactive/util/filter/Filter.cxxtest.hh) ***** TEST FilterTests test_aa_restriction_filter ***** >>>>>>>>>>>>>>>>>>>>>>>>> 10 StartingScore: 119.233 119.233 == Checking Puzzle Test Puzzle 0000000001 Checking puzzle 1 Reference foldtree: FOLD_TREE EDGE 37 18 1 EDGE 18 1 -1 EDGE 18 36 -1 Actual foldtree: FOLD_TREE EDGE 38 19 1 EDGE 19 1 -1 EDGE 19 37 -1 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 3 tests Test suite: GeneralUtilTests (../../source/test/interactive/util/general_util.cxxtest.hh) ***** TEST GeneralUtilTests test_zip_file ***** ***** TEST GeneralUtilTests test_string ***** ***** TEST GeneralUtilTests test_uuid ***** Running 1 test Test suite: MathUtilTests (../../source/test/interactive/util/math_util.cxxtest.hh) ***** TEST MathUtilTests test_slerp ***** Running 1 test Test suite: Md5UtilTests (../../source/test/interactive/util/md5_util.cxxtest.hh) ***** TEST Md5UtilTests test_md5 ***** Running 4 tests Test suite: RareyRotamerLibraryTests (../../source/test/interactive/rosetta_util/ligand/RareyRotamerLibraryTests.cxxtest.hh) Running 1 test Test suite: RayTests (../../source/test/interactive/util/Ray.cxxtest.hh) ***** TEST RayTests test_ray ***** >>>>>>>>>>>>>>>>>>>>>>>>> 1 StartingScore: 40.5715 40.5715 == Checking Puzzle Test Puzzle 0000000002 Checking puzzle 2 ***** TEST ActionShakeMutateTests test_action_shake_mutate ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: Rc4UtilTests (../../source/test/interactive/util/rc4_util.cxxtest.hh) ***** TEST Rc4UtilTests test_rc4 ***** Running 3 tests Test suite: RosettaGamePoseTests (../../source/test/interactive/util/rosetta_game_pose.cxxtest.hh) ***** TEST RosettaGamePoseTests test_pose_segments_chains ***** ***** TEST RosettaGamePoseTests test_pose_insert_remove ***** Running 1 test Test suite: SidedHarmonicFuncTests (../../source/test/interactive/rosetta_util/SidedHarmonicFunc.cxxtest.hh) ***** TEST SidedHarmonicFuncTests test_sided_harmonic ***** Running 4 tests Test suite: RosettaUtilTests (../../source/test/interactive/util/rosetta_util.cxxtest.hh) ***** TEST RosettaUtilTests test_centroid ***** ***** TEST RosettaGamePoseTests test_pose_general ***** ***** TEST RosettaUtilTests test_pose_binary ***** 110000000011000000000 check_poses ../interactive/util/binary_pose1.pdb >>>>>>>>>>>>>>>>>>>>>>>>> 2 StartingScore: -104.067 -104.067 == Checking Puzzle Test Puzzle 0000000004 Checking puzzle 4 Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Running 1 test Test suite: ToolActionLimitTests (../../source/test/interactive/application/shared/ToolActionLimit.cxxtest.hh) ***** TEST ToolActionLimitTests test_tracker ***** Running 1 test Test suite: WrappedPoseTests (../../source/test/interactive/util/WrappedPose.cxxtest.hh) ***** TEST WrappedPoseTests test_insert_remove ***** Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Running 1 test Test suite: agglomerative_hierarchical_clusteringTest (../../source/test/numeric/agglomerative_hierarchical_clustering.cxxtest.hh) Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Silencing further instances of this warning. Running 1 test Test suite: AngleFunctionTests (../../source/test/numeric/angle_functions.cxxtest.hh) KIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKX EEEEELLLLLLLLLEEEEEEEEEEELLLLEEEEEEEL selection size: 37, total residues: 37 Running 1 test Test suite: bicubic_interpolation_function_tests (../../source/test/numeric/interpolation/spline/bicubic_interpolation_function.cxxtest.hh) >>>>>>>>>>>>>>>>>>>>>>>>> 4 StartingScore: 2.37583 2.37582 == Checking Puzzle Test Puzzle 0000000005 Checking puzzle 5 Running 1 test Test suite: BicubicSpline_tests (../../source/test/numeric/interpolation/spline/BicubicSpline.cxxtest.hh) Running 7 tests Test suite: BoundingBoxTests (../../source/test/numeric/geometry/BoundingBox.cxxtest.hh) ERROR: Unable to find desired variant residue 'ILE'. Attempted to add target variant(s) to ResidueType using both ResidueType base name 'ILE' and base ResidueType. Was attempting to add new variant type 'UPPERTERM_TRUNC_VARIANT' ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/chemical/ResidueTypeSet.cc line: 983 Running 2 tests Test suite: bridgeObjectsTests (../../source/test/numeric/kinematic_closure/bridgeObjects.cxxtest.hh) ***** TEST IntroPuzzleJsonDataLoadTests test_intro_puzzle_starting_scores ***** Running 1 test Test suite: ClusteringTreeNodeTest (../../source/test/numeric/ClusteringTreeNode.cxxtest.hh) Running 6 tests Test suite: CalculatorTest (../../source/test/numeric/Calculator.cxxtest.hh) GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 ***** TEST ActionGlobalWiggleTests test_action_global_wiggle ***** Running 2 tests Test suite: ColorUtilTests (../../source/test/numeric/color_util.cxxtest.hh) GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 >>>>>>>>>>>>>>>>>>>>>>>>> 5 StartingScore: 2.37583 2.37582 == Checking Puzzle Test Puzzle 0000000006 Checking puzzle 6 Running 1 test Test suite: ConversionsTests (../../source/test/numeric/conversions.cxxtest.hh) Running 1 test Test suite: CubicSpline_tests (../../source/test/numeric/interpolation/spline/CubicSpline.cxxtest.hh) Running 11 tests Test suite: DiscreteIntervalEncodingTreeTests (../../source/test/numeric/DiscreteIntervalEncodingTree.cxxtest.hh) Running 1 test Test suite: DistributionSamplerTest (../../source/test/numeric/random/DistributionSampler.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} RareyRotamerLibraryTests::test_score() interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} This software uses the Torsion Library jointly developed by the University of Hamburg, Center for Bioinformatics, Hamburg, Germany and F. Hoffmann-La-Roche Ltd., Basel, Switzerland. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [CX4:1][CX4H2:2]!@[NX3;&quot;N_lp&quot;:3][CX4:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][CX4H2:2]!@[NX3;&quot;N_lp&quot;:3][C:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][CX4:2]!@[NX3;&quot;N_lp&quot;:3][C:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4H2:2]!@[NX3H1;&quot;N_lp&quot;:3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4H2:2]!@[NX3;&quot;N_lp&quot;:3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4:2]!@[NX3;&quot;N_lp&quot;:3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][CX4:2]!@[NX3;&quot;N_lp&quot;:3][!#1:4] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][$(S(=O)=O):2]!@[&quot;N_lp&quot;:3]@[Cr3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [C:1][$(S(=O)=O):2]!@[&quot;N_lp&quot;:3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [c:1][$(S(=O)=O):2]!@[&quot;N_lp&quot;:3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Ignoring torsion pattern [!#1:1][$(S(=O)=O):2]!@[&quot;N_lp&quot;:3] due to presence of N_lp rule. interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Center score: 0 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Tol1 score: 0 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Tol1 neg score: 0 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Tol1 + sd score: 0.28 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Tol1 + sd neg score: 0.28 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} SETTING CHI 6 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} SETTING CHI 7 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Tol2 score: 41.1 Running 2 tests Test suite: EulerAnglesTests (../../source/test/numeric/EulerAngles.cxxtest.hh) >>>>>>>>>>>>>>>>>>>>>>>>> 6 StartingScore: 2.3758 2.37582 == Checking Puzzle Test Puzzle 0000000008 Checking puzzle 8 Running 7 tests Test suite: GeneralizedEigenSolverTests (../../source/test/numeric/linear_algebra/GeneralizedEigenSolverTests.cxxtest.hh) Running 8 tests Test suite: HistogramTests (../../source/test/numeric/interpolation/Histogram.cxxtest.hh) Running 4 tests Test suite: FFTTests (../../source/test/numeric/fourier/fft.cxxtest.hh) Running 10 tests Test suite: HomogenousTransformTests (../../source/test/numeric/HomogeneousTransform.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-60, 60, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 4.8e-05 rosetta 4.8e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [25, 25, 25] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-60, 60, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 3e-05 rosetta 3e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [-70, 70, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -3.3e-05 rosetta -3.3e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-60, 60, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -7e-05 rosetta -7e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [25, 25, 25] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-60, 60, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -6.1e-05 rosetta -6.1e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [-120, 180, 120] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 180 rarey 180 rosetta -5.1e-05 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 30, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 0 DUNBRACK 45.0541 RAREY 29.2489 ADJUST DUNBRACK: 31.2944 ADJUST RAREY: 29.2406 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 5 DUNBRACK 39.9323 RAREY 21.76 ADJUST DUNBRACK: 26.1726 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 10 DUNBRACK 35.2318 RAREY 15.3822 ADJUST DUNBRACK: 21.4721 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 15 DUNBRACK 30.9525 RAREY 10.1156 ADJUST DUNBRACK: 17.1928 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 20 DUNBRACK 27.0945 RAREY 5.96 ADJUST DUNBRACK: 13.3348 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 25 DUNBRACK 23.6577 RAREY 2.91556 ADJUST DUNBRACK: 9.89802 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 30 DUNBRACK 20.6422 RAREY 0.982222 ADJUST DUNBRACK: 6.88249 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 35 DUNBRACK 18.0479 RAREY 0.16 ADJUST DUNBRACK: 4.28822 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 40 DUNBRACK 15.8749 RAREY 0.00444444 ADJUST DUNBRACK: 2.1152 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 45 DUNBRACK 14.1231 RAREY 0 ADJUST DUNBRACK: 0.363422 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 50 DUNBRACK 12.7926 RAREY 0 ADJUST DUNBRACK: -0.967103 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 55 DUNBRACK 11.8833 RAREY 0 ADJUST DUNBRACK: -1.87638 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 60 DUNBRACK 11.3953 RAREY 0 ADJUST DUNBRACK: -2.3644 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 65 DUNBRACK 11.3285 RAREY 0 ADJUST DUNBRACK: -2.43118 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 70 DUNBRACK 11.683 RAREY 0 ADJUST DUNBRACK: -2.0767 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 75 DUNBRACK 12.4587 RAREY 0 ADJUST DUNBRACK: -1.30097 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 80 DUNBRACK 13.6557 RAREY 0.00444444 ADJUST DUNBRACK: -0.103999 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 85 DUNBRACK 15.2739 RAREY 0.16 ADJUST DUNBRACK: 1.51423 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 90 DUNBRACK 17.3134 RAREY 0.982222 ADJUST DUNBRACK: 3.5537 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 95 DUNBRACK 19.7741 RAREY 2.91556 ADJUST DUNBRACK: 6.01443 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 100 DUNBRACK 22.6561 RAREY 5.96 ADJUST DUNBRACK: 8.8964 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 105 DUNBRACK 25.9593 RAREY 10.1156 ADJUST DUNBRACK: 12.1996 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 110 DUNBRACK 29.6838 RAREY 15.3822 ADJUST DUNBRACK: 15.9241 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 115 DUNBRACK 33.8295 RAREY 21.76 ADJUST DUNBRACK: 20.0698 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 120 DUNBRACK 38.3965 RAREY 29.2489 ADJUST DUNBRACK: 24.6368 ADJUST RAREY: 29.2406 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 125 DUNBRACK 35.0139 RAREY 21.76 ADJUST DUNBRACK: 21.2542 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 130 DUNBRACK 30.935 RAREY 15.3822 ADJUST DUNBRACK: 17.1753 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 135 DUNBRACK 27.2289 RAREY 10.1156 ADJUST DUNBRACK: 13.4693 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 140 DUNBRACK 23.8957 RAREY 5.96 ADJUST DUNBRACK: 10.136 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 145 DUNBRACK 20.9353 RAREY 2.91556 ADJUST DUNBRACK: 7.17561 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 150 DUNBRACK 18.3477 RAREY 0.982222 ADJUST DUNBRACK: 4.588 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 155 DUNBRACK 16.1329 RAREY 0.16 ADJUST DUNBRACK: 2.37321 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 160 DUNBRACK 14.2909 RAREY 0.00444444 ADJUST DUNBRACK: 0.531227 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 165 DUNBRACK 12.8217 RAREY 0 ADJUST DUNBRACK: -0.937939 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 170 DUNBRACK 11.7254 RAREY 0 ADJUST DUNBRACK: -2.03429 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 175 DUNBRACK 11.0018 RAREY 0 ADJUST DUNBRACK: -2.75783 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 180 DUNBRACK 10.6511 RAREY 0 ADJUST DUNBRACK: -3.10855 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 185 DUNBRACK 10.6732 RAREY 0 ADJUST DUNBRACK: -3.08646 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 190 DUNBRACK 11.0681 RAREY 0 ADJUST DUNBRACK: -2.69155 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 195 DUNBRACK 11.8358 RAREY 0 ADJUST DUNBRACK: -1.92383 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 200 DUNBRACK 12.9764 RAREY 0.00444444 ADJUST DUNBRACK: -0.783293 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 205 DUNBRACK 14.4897 RAREY 0.16 ADJUST DUNBRACK: 0.730058 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 210 DUNBRACK 16.3759 RAREY 0.982222 ADJUST DUNBRACK: 2.61622 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 215 DUNBRACK 18.6349 RAREY 2.91556 ADJUST DUNBRACK: 4.8752 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 220 DUNBRACK 21.2667 RAREY 5.96 ADJUST DUNBRACK: 7.507 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 225 DUNBRACK 24.2713 RAREY 10.1156 ADJUST DUNBRACK: 10.5116 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 230 DUNBRACK 27.6487 RAREY 15.3822 ADJUST DUNBRACK: 13.889 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 235 DUNBRACK 31.3989 RAREY 21.76 ADJUST DUNBRACK: 17.6393 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 240 DUNBRACK 35.522 RAREY 29.2489 ADJUST DUNBRACK: 21.7623 ADJUST RAREY: 29.2406 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 245 DUNBRACK 33.0963 RAREY 21.76 ADJUST DUNBRACK: 19.3366 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 250 DUNBRACK 28.3563 RAREY 15.3822 ADJUST DUNBRACK: 14.5966 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 255 DUNBRACK 24.1179 RAREY 10.1156 ADJUST DUNBRACK: 10.3583 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 260 DUNBRACK 20.3813 RAREY 5.96 ADJUST DUNBRACK: 6.62162 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 265 DUNBRACK 17.1463 RAREY 2.91556 ADJUST DUNBRACK: 3.38665 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 270 DUNBRACK 14.413 RAREY 0.982222 ADJUST DUNBRACK: 0.653373 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 275 DUNBRACK 12.1814 RAREY 0.16 ADJUST DUNBRACK: -1.57822 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 280 DUNBRACK 10.4515 RAREY 0.00444444 ADJUST DUNBRACK: -3.30812 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 285 DUNBRACK 9.22333 RAREY 0 ADJUST DUNBRACK: -4.53634 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 290 DUNBRACK 8.4968 RAREY 0 ADJUST DUNBRACK: -5.26287 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 295 DUNBRACK 8.27196 RAREY 0 ADJUST DUNBRACK: -5.48771 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 300 DUNBRACK 8.54881 RAREY 0 ADJUST DUNBRACK: -5.21086 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 305 DUNBRACK 9.32735 RAREY 0 ADJUST DUNBRACK: -4.43232 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 310 DUNBRACK 10.6076 RAREY 0 ADJUST DUNBRACK: -3.1521 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 315 DUNBRACK 12.3895 RAREY 0 ADJUST DUNBRACK: -1.37019 ADJUST RAREY: -0.00828614 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 320 DUNBRACK 14.6731 RAREY 0.00444444 ADJUST DUNBRACK: 0.913413 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 325 DUNBRACK 17.4584 RAREY 0.16 ADJUST DUNBRACK: 3.6987 ADJUST RAREY: 0.151714 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 330 DUNBRACK 20.7453 RAREY 0.982222 ADJUST DUNBRACK: 6.98568 ADJUST RAREY: 0.973936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 335 DUNBRACK 24.534 RAREY 2.91556 ADJUST DUNBRACK: 10.7743 ADJUST RAREY: 2.90727 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 340 DUNBRACK 28.8244 RAREY 5.96 ADJUST DUNBRACK: 15.0647 ADJUST RAREY: 5.95171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 345 DUNBRACK 33.6164 RAREY 10.1156 ADJUST DUNBRACK: 19.8567 ADJUST RAREY: 10.1073 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 350 DUNBRACK 38.9101 RAREY 15.3822 ADJUST DUNBRACK: 25.1505 ADJUST RAREY: 15.3739 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 1 angle 355 DUNBRACK 44.7055 RAREY 21.76 ADJUST DUNBRACK: 30.9459 ADJUST RAREY: 21.7517 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 0 DUNBRACK 59.6694 RAREY 23.4756 ADJUST DUNBRACK: 45.9098 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 5 DUNBRACK 54.3385 RAREY 16.8756 ADJUST DUNBRACK: 40.5788 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 10 DUNBRACK 49.3378 RAREY 11.3867 ADJUST DUNBRACK: 35.5782 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 15 DUNBRACK 44.6675 RAREY 7.00889 ADJUST DUNBRACK: 30.9078 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 20 DUNBRACK 40.3274 RAREY 3.74222 ADJUST DUNBRACK: 26.5677 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 25 DUNBRACK 36.3176 RAREY 1.58667 ADJUST DUNBRACK: 22.5579 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 30 DUNBRACK 32.6381 RAREY 0.542222 ADJUST DUNBRACK: 18.8785 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 35 DUNBRACK 29.2889 RAREY 0.164444 ADJUST DUNBRACK: 15.5293 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 40 DUNBRACK 26.27 RAREY 0.00888889 ADJUST DUNBRACK: 12.5104 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 45 DUNBRACK 23.5814 RAREY 0.00444444 ADJUST DUNBRACK: 9.82178 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 50 DUNBRACK 21.2231 RAREY 0.00444444 ADJUST DUNBRACK: 7.46347 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 55 DUNBRACK 19.1951 RAREY 0.00444444 ADJUST DUNBRACK: 5.43547 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 60 DUNBRACK 17.4974 RAREY 0.00444444 ADJUST DUNBRACK: 3.73775 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 65 DUNBRACK 16.13 RAREY 0.00444444 ADJUST DUNBRACK: 2.37033 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 70 DUNBRACK 15.0929 RAREY 0.00444444 ADJUST DUNBRACK: 1.33321 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 75 DUNBRACK 14.386 RAREY 0.00444444 ADJUST DUNBRACK: 0.626376 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 80 DUNBRACK 14.0095 RAREY 0.00888889 ADJUST DUNBRACK: 0.249841 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 85 DUNBRACK 13.9633 RAREY 0.164444 ADJUST DUNBRACK: 0.2036 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 90 DUNBRACK 14.2473 RAREY 0.542222 ADJUST DUNBRACK: 0.487653 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 95 DUNBRACK 14.8617 RAREY 1.58667 ADJUST DUNBRACK: 1.102 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 100 DUNBRACK 15.8063 RAREY 3.74222 ADJUST DUNBRACK: 2.04664 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 105 DUNBRACK 17.0812 RAREY 7.00889 ADJUST DUNBRACK: 3.32158 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 110 DUNBRACK 18.6865 RAREY 11.3867 ADJUST DUNBRACK: 4.92681 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 115 DUNBRACK 20.622 RAREY 16.8756 ADJUST DUNBRACK: 6.86234 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 120 DUNBRACK 22.8878 RAREY 23.4756 ADJUST DUNBRACK: 9.12816 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 125 DUNBRACK 32.3104 RAREY 16.8756 ADJUST DUNBRACK: 18.5507 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 130 DUNBRACK 29.1542 RAREY 11.3867 ADJUST DUNBRACK: 15.3945 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 135 DUNBRACK 26.287 RAREY 7.00889 ADJUST DUNBRACK: 12.5274 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 140 DUNBRACK 23.7089 RAREY 3.74222 ADJUST DUNBRACK: 9.94924 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 145 DUNBRACK 21.4198 RAREY 1.58667 ADJUST DUNBRACK: 7.66017 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 150 DUNBRACK 19.4198 RAREY 0.542222 ADJUST DUNBRACK: 5.66015 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 155 DUNBRACK 17.7089 RAREY 0.164444 ADJUST DUNBRACK: 3.94919 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 160 DUNBRACK 16.2869 RAREY 0.00888889 ADJUST DUNBRACK: 2.52727 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 165 DUNBRACK 15.1541 RAREY 0.00444444 ADJUST DUNBRACK: 1.39441 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 170 DUNBRACK 14.3103 RAREY 0.00444444 ADJUST DUNBRACK: 0.550592 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 175 DUNBRACK 13.7555 RAREY 0.00444444 ADJUST DUNBRACK: -0.00417144 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 180 DUNBRACK 13.4898 RAREY 0.00444444 ADJUST DUNBRACK: -0.269884 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 185 DUNBRACK 13.5131 RAREY 0.00444444 ADJUST DUNBRACK: -0.246546 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 190 DUNBRACK 13.8255 RAREY 0.00444444 ADJUST DUNBRACK: 0.0658436 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 195 DUNBRACK 14.427 RAREY 0.00444444 ADJUST DUNBRACK: 0.667283 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 200 DUNBRACK 15.3174 RAREY 0.00888889 ADJUST DUNBRACK: 1.55777 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 205 DUNBRACK 16.497 RAREY 0.164444 ADJUST DUNBRACK: 2.73732 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 210 DUNBRACK 17.9656 RAREY 0.542222 ADJUST DUNBRACK: 4.20591 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 215 DUNBRACK 19.7232 RAREY 1.58667 ADJUST DUNBRACK: 5.96355 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 220 DUNBRACK 21.7699 RAREY 3.74222 ADJUST DUNBRACK: 8.01024 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 225 DUNBRACK 24.1057 RAREY 7.00889 ADJUST DUNBRACK: 10.346 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 230 DUNBRACK 26.7304 RAREY 11.3867 ADJUST DUNBRACK: 12.9708 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 235 DUNBRACK 29.6443 RAREY 16.8756 ADJUST DUNBRACK: 15.8846 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 240 DUNBRACK 32.8472 RAREY 23.4756 ADJUST DUNBRACK: 19.0875 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 245 DUNBRACK 14.6454 RAREY 16.8756 ADJUST DUNBRACK: 0.88571 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 250 DUNBRACK 13.9848 RAREY 11.3867 ADJUST DUNBRACK: 0.225134 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 255 DUNBRACK 13.4231 RAREY 7.00889 ADJUST DUNBRACK: -0.336552 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 260 DUNBRACK 12.9603 RAREY 3.74222 ADJUST DUNBRACK: -0.79935 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 265 DUNBRACK 12.5964 RAREY 1.58667 ADJUST DUNBRACK: -1.16326 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 270 DUNBRACK 12.3314 RAREY 0.542222 ADJUST DUNBRACK: -1.42828 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 275 DUNBRACK 12.1653 RAREY 0.164444 ADJUST DUNBRACK: -1.59441 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 280 DUNBRACK 12.098 RAREY 0.00888889 ADJUST DUNBRACK: -1.66166 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 285 DUNBRACK 12.1297 RAREY 0.00444444 ADJUST DUNBRACK: -1.63001 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 290 DUNBRACK 12.2602 RAREY 0.00444444 ADJUST DUNBRACK: -1.49948 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 295 DUNBRACK 12.4896 RAREY 0.00444444 ADJUST DUNBRACK: -1.27006 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 300 DUNBRACK 12.8179 RAREY 0.00444444 ADJUST DUNBRACK: -0.94175 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 305 DUNBRACK 13.2451 RAREY 0.00444444 ADJUST DUNBRACK: -0.514552 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 310 DUNBRACK 13.7712 RAREY 0.00444444 ADJUST DUNBRACK: 0.011535 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 315 DUNBRACK 14.3962 RAREY 0.00444444 ADJUST DUNBRACK: 0.63651 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 320 DUNBRACK 15.12 RAREY 0.00888889 ADJUST DUNBRACK: 1.36037 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 325 DUNBRACK 15.9428 RAREY 0.164444 ADJUST DUNBRACK: 2.18313 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 330 DUNBRACK 16.8644 RAREY 0.542222 ADJUST DUNBRACK: 3.10477 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 335 DUNBRACK 17.885 RAREY 1.58667 ADJUST DUNBRACK: 4.1253 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 340 DUNBRACK 19.0044 RAREY 3.74222 ADJUST DUNBRACK: 5.24471 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 345 DUNBRACK 20.2227 RAREY 7.00889 ADJUST DUNBRACK: 6.46302 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 350 DUNBRACK 21.5399 RAREY 11.3867 ADJUST DUNBRACK: 7.78022 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 2 angle 355 DUNBRACK 22.956 RAREY 16.8756 ADJUST DUNBRACK: 9.1963 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 0 DUNBRACK 28.1091 RAREY 27.5644 ADJUST DUNBRACK: 14.3494 ADJUST RAREY: 27.5562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 5 DUNBRACK 26.7471 RAREY 20.52 ADJUST DUNBRACK: 12.9874 ADJUST RAREY: 20.5117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 10 DUNBRACK 25.4853 RAREY 14.5867 ADJUST DUNBRACK: 11.7256 ADJUST RAREY: 14.5784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 15 DUNBRACK 24.3236 RAREY 9.76444 ADJUST DUNBRACK: 10.564 ADJUST RAREY: 9.75616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 20 DUNBRACK 23.2621 RAREY 6.05333 ADJUST DUNBRACK: 9.50243 ADJUST RAREY: 6.04505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 25 DUNBRACK 22.3007 RAREY 3.45333 ADJUST DUNBRACK: 8.54104 ADJUST RAREY: 3.44505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 30 DUNBRACK 21.4395 RAREY 1.96444 ADJUST DUNBRACK: 7.6798 ADJUST RAREY: 1.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 35 DUNBRACK 20.6784 RAREY 1.14222 ADJUST DUNBRACK: 6.91871 ADJUST RAREY: 1.13394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 40 DUNBRACK 20.0174 RAREY 0.542222 ADJUST DUNBRACK: 6.25775 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 45 DUNBRACK 19.4566 RAREY 0.164444 ADJUST DUNBRACK: 5.69695 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 50 DUNBRACK 18.9959 RAREY 0.00888889 ADJUST DUNBRACK: 5.23628 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 55 DUNBRACK 18.6354 RAREY 0.00444444 ADJUST DUNBRACK: 4.87576 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 60 DUNBRACK 18.3751 RAREY 0.00444444 ADJUST DUNBRACK: 4.61539 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 65 DUNBRACK 18.2148 RAREY 0.00444444 ADJUST DUNBRACK: 4.45516 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 70 DUNBRACK 18.1547 RAREY 0.00444444 ADJUST DUNBRACK: 4.39507 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 75 DUNBRACK 18.1948 RAREY 0.00444444 ADJUST DUNBRACK: 4.43513 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 80 DUNBRACK 18.335 RAREY 0.00444444 ADJUST DUNBRACK: 4.57533 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 85 DUNBRACK 18.5753 RAREY 0.00444444 ADJUST DUNBRACK: 4.81568 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 90 DUNBRACK 18.9158 RAREY 0.00888889 ADJUST DUNBRACK: 5.15617 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 95 DUNBRACK 19.3565 RAREY 0.164444 ADJUST DUNBRACK: 5.5968 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 100 DUNBRACK 19.8972 RAREY 0.542222 ADJUST DUNBRACK: 6.13758 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 105 DUNBRACK 20.5382 RAREY 1.14222 ADJUST DUNBRACK: 6.7785 ADJUST RAREY: 1.13394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 110 DUNBRACK 21.2792 RAREY 1.96444 ADJUST DUNBRACK: 7.51957 ADJUST RAREY: 1.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 115 DUNBRACK 22.1204 RAREY 3.45333 ADJUST DUNBRACK: 8.36078 ADJUST RAREY: 3.44505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 120 DUNBRACK 23.0618 RAREY 6.05333 ADJUST DUNBRACK: 9.30214 ADJUST RAREY: 6.04505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 125 DUNBRACK 17.2499 RAREY 9.76444 ADJUST DUNBRACK: 3.49022 ADJUST RAREY: 9.75616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 130 DUNBRACK 16.9682 RAREY 0.542222 ADJUST DUNBRACK: 3.20858 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 135 DUNBRACK 16.7135 RAREY 0.164444 ADJUST DUNBRACK: 2.95381 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 140 DUNBRACK 16.4856 RAREY 0.00888889 ADJUST DUNBRACK: 2.72591 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 145 DUNBRACK 16.2846 RAREY 0.00444444 ADJUST DUNBRACK: 2.52489 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 150 DUNBRACK 16.1104 RAREY 0.00444444 ADJUST DUNBRACK: 2.35074 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 155 DUNBRACK 15.9631 RAREY 0.00444444 ADJUST DUNBRACK: 2.20347 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 160 DUNBRACK 15.8427 RAREY 0.00444444 ADJUST DUNBRACK: 2.08307 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 165 DUNBRACK 15.7492 RAREY 0.00444444 ADJUST DUNBRACK: 1.98955 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 170 DUNBRACK 15.6826 RAREY 0.00444444 ADJUST DUNBRACK: 1.9229 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 175 DUNBRACK 15.6428 RAREY 0.00444444 ADJUST DUNBRACK: 1.88313 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 180 DUNBRACK 15.6299 RAREY 0.00444444 ADJUST DUNBRACK: 1.87023 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 185 DUNBRACK 15.6439 RAREY 0.00444444 ADJUST DUNBRACK: 1.8842 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 190 DUNBRACK 15.6847 RAREY 0.00444444 ADJUST DUNBRACK: 1.92505 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 195 DUNBRACK 15.7524 RAREY 0.00444444 ADJUST DUNBRACK: 1.99277 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 200 DUNBRACK 15.847 RAREY 0.00444444 ADJUST DUNBRACK: 2.08737 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 205 DUNBRACK 15.9685 RAREY 0.00444444 ADJUST DUNBRACK: 2.20884 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 210 DUNBRACK 16.1169 RAREY 0.00444444 ADJUST DUNBRACK: 2.35719 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 215 DUNBRACK 16.2921 RAREY 0.00444444 ADJUST DUNBRACK: 2.53241 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 220 DUNBRACK 16.4942 RAREY 0.00888889 ADJUST DUNBRACK: 2.73451 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 225 DUNBRACK 16.7231 RAREY 0.164444 ADJUST DUNBRACK: 2.96348 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 230 DUNBRACK 16.979 RAREY 0.542222 ADJUST DUNBRACK: 3.21933 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 235 DUNBRACK 17.2617 RAREY 9.76444 ADJUST DUNBRACK: 3.50205 ADJUST RAREY: 9.75616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 240 DUNBRACK 17.5713 RAREY 6.05333 ADJUST DUNBRACK: 3.81164 ADJUST RAREY: 6.04505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 245 DUNBRACK 17.4364 RAREY 3.45333 ADJUST DUNBRACK: 3.67674 ADJUST RAREY: 3.44505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 250 DUNBRACK 17.4632 RAREY 1.96444 ADJUST DUNBRACK: 3.70349 ADJUST RAREY: 1.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 255 DUNBRACK 17.5242 RAREY 1.14222 ADJUST DUNBRACK: 3.76453 ADJUST RAREY: 1.13394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 260 DUNBRACK 17.6195 RAREY 0.542222 ADJUST DUNBRACK: 3.85987 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 265 DUNBRACK 17.7492 RAREY 0.164444 ADJUST DUNBRACK: 3.9895 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 270 DUNBRACK 17.9131 RAREY 0.00888889 ADJUST DUNBRACK: 4.15342 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 275 DUNBRACK 18.1113 RAREY 0.00444444 ADJUST DUNBRACK: 4.35164 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 280 DUNBRACK 18.3438 RAREY 0.00444444 ADJUST DUNBRACK: 4.58415 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 285 DUNBRACK 18.6106 RAREY 0.00444444 ADJUST DUNBRACK: 4.85095 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 290 DUNBRACK 18.9117 RAREY 0.00444444 ADJUST DUNBRACK: 5.15205 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 295 DUNBRACK 19.2471 RAREY 0.00444444 ADJUST DUNBRACK: 5.48744 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 300 DUNBRACK 19.6168 RAREY 0.00444444 ADJUST DUNBRACK: 5.85712 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 305 DUNBRACK 20.0208 RAREY 0.00444444 ADJUST DUNBRACK: 6.2611 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 310 DUNBRACK 20.459 RAREY 0.00888889 ADJUST DUNBRACK: 6.69937 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 315 DUNBRACK 20.9316 RAREY 0.164444 ADJUST DUNBRACK: 7.17194 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 320 DUNBRACK 21.4385 RAREY 0.542222 ADJUST DUNBRACK: 7.6788 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 325 DUNBRACK 21.9796 RAREY 1.14222 ADJUST DUNBRACK: 8.21995 ADJUST RAREY: 1.13394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 330 DUNBRACK 22.5551 RAREY 1.96444 ADJUST DUNBRACK: 8.79539 ADJUST RAREY: 1.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 335 DUNBRACK 23.1648 RAREY 3.45333 ADJUST DUNBRACK: 9.40513 ADJUST RAREY: 3.44505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 340 DUNBRACK 23.8088 RAREY 6.05333 ADJUST DUNBRACK: 10.0492 ADJUST RAREY: 6.04505 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 345 DUNBRACK 24.4872 RAREY 9.76444 ADJUST DUNBRACK: 10.7275 ADJUST RAREY: 9.75616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 350 DUNBRACK 25.1998 RAREY 14.5867 ADJUST DUNBRACK: 11.4401 ADJUST RAREY: 14.5784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 1 chi 3 angle 355 DUNBRACK 25.9467 RAREY 20.52 ADJUST DUNBRACK: 12.187 ADJUST RAREY: 20.5117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 0 DUNBRACK 39.3602 RAREY 29.2533 ADJUST DUNBRACK: 25.6006 ADJUST RAREY: 29.245 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 5 DUNBRACK 36.3197 RAREY 21.7644 ADJUST DUNBRACK: 22.56 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 10 DUNBRACK 33.5212 RAREY 15.3867 ADJUST DUNBRACK: 19.7616 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 15 DUNBRACK 30.9649 RAREY 10.12 ADJUST DUNBRACK: 17.2053 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 20 DUNBRACK 28.6508 RAREY 5.96444 ADJUST DUNBRACK: 14.8911 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 25 DUNBRACK 26.5787 RAREY 2.92 ADJUST DUNBRACK: 12.819 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 30 DUNBRACK 24.7488 RAREY 0.986667 ADJUST DUNBRACK: 10.9891 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 35 DUNBRACK 23.161 RAREY 0.164444 ADJUST DUNBRACK: 9.40135 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 40 DUNBRACK 21.8154 RAREY 0.00888889 ADJUST DUNBRACK: 8.0557 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 45 DUNBRACK 20.7118 RAREY 0.00444444 ADJUST DUNBRACK: 6.95217 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 50 DUNBRACK 19.8504 RAREY 0.00444444 ADJUST DUNBRACK: 6.09078 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 55 DUNBRACK 19.2312 RAREY 0.00444444 ADJUST DUNBRACK: 5.47152 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 60 DUNBRACK 18.8541 RAREY 0.00444444 ADJUST DUNBRACK: 5.09439 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 65 DUNBRACK 18.7191 RAREY 0.00444444 ADJUST DUNBRACK: 4.95939 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 70 DUNBRACK 18.8262 RAREY 0.00444444 ADJUST DUNBRACK: 5.06652 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 75 DUNBRACK 19.1754 RAREY 0.00444444 ADJUST DUNBRACK: 5.41578 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 80 DUNBRACK 19.7668 RAREY 0.00888889 ADJUST DUNBRACK: 6.00716 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 85 DUNBRACK 20.6004 RAREY 0.164444 ADJUST DUNBRACK: 6.84068 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 90 DUNBRACK 21.676 RAREY 0.986667 ADJUST DUNBRACK: 7.91633 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 95 DUNBRACK 22.9938 RAREY 2.92 ADJUST DUNBRACK: 9.23411 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 100 DUNBRACK 24.5537 RAREY 5.96444 ADJUST DUNBRACK: 10.794 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 105 DUNBRACK 26.3557 RAREY 10.12 ADJUST DUNBRACK: 12.5961 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 110 DUNBRACK 28.3999 RAREY 15.3867 ADJUST DUNBRACK: 14.6402 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 115 DUNBRACK 30.6862 RAREY 21.7644 ADJUST DUNBRACK: 16.9265 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 120 DUNBRACK 33.2146 RAREY 29.2533 ADJUST DUNBRACK: 19.455 ADJUST RAREY: 29.245 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 125 DUNBRACK 41.0677 RAREY 21.7644 ADJUST DUNBRACK: 27.308 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 130 DUNBRACK 36.4387 RAREY 15.3867 ADJUST DUNBRACK: 22.679 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 135 DUNBRACK 32.2336 RAREY 10.12 ADJUST DUNBRACK: 18.474 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 140 DUNBRACK 28.4524 RAREY 5.96444 ADJUST DUNBRACK: 14.6928 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 145 DUNBRACK 25.0951 RAREY 2.92 ADJUST DUNBRACK: 11.3355 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 150 DUNBRACK 22.1618 RAREY 0.986667 ADJUST DUNBRACK: 8.4021 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 155 DUNBRACK 19.6523 RAREY 0.164444 ADJUST DUNBRACK: 5.89261 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 160 DUNBRACK 17.5667 RAREY 0.00888889 ADJUST DUNBRACK: 3.80702 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 165 DUNBRACK 15.905 RAREY 0.00444444 ADJUST DUNBRACK: 2.14533 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 170 DUNBRACK 14.6672 RAREY 0.00444444 ADJUST DUNBRACK: 0.907544 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 175 DUNBRACK 13.8533 RAREY 0.00444444 ADJUST DUNBRACK: 0.0936563 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 180 DUNBRACK 13.4633 RAREY 0.00444444 ADJUST DUNBRACK: -0.296332 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 185 DUNBRACK 13.4972 RAREY 0.00444444 ADJUST DUNBRACK: -0.262421 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 190 DUNBRACK 13.9551 RAREY 0.00444444 ADJUST DUNBRACK: 0.195391 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 195 DUNBRACK 14.8368 RAREY 0.00444444 ADJUST DUNBRACK: 1.0771 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 200 DUNBRACK 16.1424 RAREY 0.00888889 ADJUST DUNBRACK: 2.38271 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 205 DUNBRACK 17.8719 RAREY 0.164444 ADJUST DUNBRACK: 4.11222 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 210 DUNBRACK 20.0253 RAREY 0.986667 ADJUST DUNBRACK: 6.26563 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 215 DUNBRACK 22.6026 RAREY 2.92 ADJUST DUNBRACK: 8.84294 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 220 DUNBRACK 25.6038 RAREY 5.96444 ADJUST DUNBRACK: 11.8442 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 225 DUNBRACK 29.0289 RAREY 10.12 ADJUST DUNBRACK: 15.2693 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 230 DUNBRACK 32.8779 RAREY 15.3867 ADJUST DUNBRACK: 19.1183 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 235 DUNBRACK 37.1509 RAREY 21.7644 ADJUST DUNBRACK: 23.3912 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 240 DUNBRACK 41.8477 RAREY 29.2533 ADJUST DUNBRACK: 28.088 ADJUST RAREY: 29.245 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 245 DUNBRACK 31.9804 RAREY 21.7644 ADJUST DUNBRACK: 18.2208 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 250 DUNBRACK 28.6389 RAREY 15.3867 ADJUST DUNBRACK: 14.8792 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 255 DUNBRACK 25.6469 RAREY 10.12 ADJUST DUNBRACK: 11.8872 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 260 DUNBRACK 23.0044 RAREY 5.96444 ADJUST DUNBRACK: 9.24472 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 265 DUNBRACK 20.7114 RAREY 2.92 ADJUST DUNBRACK: 6.95178 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 270 DUNBRACK 18.768 RAREY 0.986667 ADJUST DUNBRACK: 5.00837 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 275 DUNBRACK 17.1742 RAREY 0.164444 ADJUST DUNBRACK: 3.41449 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 280 DUNBRACK 15.9298 RAREY 0.00888889 ADJUST DUNBRACK: 2.17015 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 285 DUNBRACK 15.035 RAREY 0.00444444 ADJUST DUNBRACK: 1.27535 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 290 DUNBRACK 14.4897 RAREY 0.00444444 ADJUST DUNBRACK: 0.730072 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 295 DUNBRACK 14.294 RAREY 0.00444444 ADJUST DUNBRACK: 0.534333 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 300 DUNBRACK 14.4478 RAREY 0.00444444 ADJUST DUNBRACK: 0.688128 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 305 DUNBRACK 14.9511 RAREY 0.00444444 ADJUST DUNBRACK: 1.19146 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 310 DUNBRACK 15.804 RAREY 0.00444444 ADJUST DUNBRACK: 2.04432 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 315 DUNBRACK 17.0064 RAREY 0.00444444 ADJUST DUNBRACK: 3.24672 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 320 DUNBRACK 18.5583 RAREY 0.00888889 ADJUST DUNBRACK: 4.79865 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 325 DUNBRACK 20.4598 RAREY 0.164444 ADJUST DUNBRACK: 6.70011 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 330 DUNBRACK 22.7108 RAREY 0.986667 ADJUST DUNBRACK: 8.95111 ADJUST RAREY: 0.978381 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 335 DUNBRACK 25.3113 RAREY 2.92 ADJUST DUNBRACK: 11.5516 ADJUST RAREY: 2.91171 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 340 DUNBRACK 28.2614 RAREY 5.96444 ADJUST DUNBRACK: 14.5017 ADJUST RAREY: 5.95616 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 345 DUNBRACK 31.561 RAREY 10.12 ADJUST DUNBRACK: 17.8013 ADJUST RAREY: 10.1117 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 350 DUNBRACK 35.2101 RAREY 15.3867 ADJUST DUNBRACK: 21.4504 ADJUST RAREY: 15.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 1 angle 355 DUNBRACK 39.2088 RAREY 21.7644 ADJUST DUNBRACK: 25.4491 ADJUST RAREY: 21.7562 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 0 DUNBRACK 61.4134 RAREY 23.4756 ADJUST DUNBRACK: 47.6538 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 5 DUNBRACK 55.1487 RAREY 16.8756 ADJUST DUNBRACK: 41.389 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 10 DUNBRACK 49.3541 RAREY 11.3867 ADJUST DUNBRACK: 35.5944 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 15 DUNBRACK 44.0297 RAREY 7.00889 ADJUST DUNBRACK: 30.27 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 20 DUNBRACK 39.1754 RAREY 3.74222 ADJUST DUNBRACK: 25.4158 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 25 DUNBRACK 34.7914 RAREY 1.58667 ADJUST DUNBRACK: 21.0317 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 30 DUNBRACK 30.8775 RAREY 0.542222 ADJUST DUNBRACK: 17.1179 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 35 DUNBRACK 27.4339 RAREY 0.164444 ADJUST DUNBRACK: 13.6742 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 40 DUNBRACK 24.4604 RAREY 0.00888889 ADJUST DUNBRACK: 10.7007 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 45 DUNBRACK 21.9571 RAREY 0.00444444 ADJUST DUNBRACK: 8.1974 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 50 DUNBRACK 19.924 RAREY 0.00444444 ADJUST DUNBRACK: 6.16429 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 55 DUNBRACK 18.361 RAREY 0.00444444 ADJUST DUNBRACK: 4.60136 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 60 DUNBRACK 17.2683 RAREY 0.00444444 ADJUST DUNBRACK: 3.50861 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 65 DUNBRACK 16.6457 RAREY 0.00444444 ADJUST DUNBRACK: 2.88605 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 70 DUNBRACK 16.4933 RAREY 0.00444444 ADJUST DUNBRACK: 2.73367 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 75 DUNBRACK 16.8111 RAREY 0.00444444 ADJUST DUNBRACK: 3.05148 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 80 DUNBRACK 17.5991 RAREY 0.00888889 ADJUST DUNBRACK: 3.83947 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 85 DUNBRACK 18.8573 RAREY 0.164444 ADJUST DUNBRACK: 5.09764 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 90 DUNBRACK 20.5857 RAREY 0.542222 ADJUST DUNBRACK: 6.82601 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 95 DUNBRACK 22.7842 RAREY 1.58667 ADJUST DUNBRACK: 9.02455 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 100 DUNBRACK 25.4529 RAREY 3.74222 ADJUST DUNBRACK: 11.6933 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 105 DUNBRACK 28.5919 RAREY 7.00889 ADJUST DUNBRACK: 14.8322 ADJUST RAREY: 7.0006 Setting up filter test interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 110 DUNBRACK 32.201 RAREY 11.3867 ADJUST DUNBRACK: 18.4413 ADJUST RAREY: 11.3784 Loading pose '0000993686.ir_puzzle.pdb' interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 115 DUNBRACK 36.2802 RAREY 16.8756 ADJUST DUNBRACK: 22.5206 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 120 DUNBRACK 40.8297 RAREY 23.4756 ADJUST DUNBRACK: 27.0701 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 125 DUNBRACK 27.2762 RAREY 16.8756 ADJUST DUNBRACK: 13.5166 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 130 DUNBRACK 25.2209 RAREY 11.3867 ADJUST DUNBRACK: 11.4612 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 135 DUNBRACK 23.3702 RAREY 7.00889 ADJUST DUNBRACK: 9.61057 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 140 DUNBRACK 21.7243 RAREY 3.74222 ADJUST DUNBRACK: 7.96463 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 145 DUNBRACK 20.2831 RAREY 1.58667 ADJUST DUNBRACK: 6.5234 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 150 DUNBRACK 19.0465 RAREY 0.542222 ADJUST DUNBRACK: 5.28688 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 155 DUNBRACK 18.0147 RAREY 0.164444 ADJUST DUNBRACK: 4.25506 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 160 DUNBRACK 17.1876 RAREY 0.00888889 ADJUST DUNBRACK: 3.42796 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 165 DUNBRACK 16.5652 RAREY 0.00444444 ADJUST DUNBRACK: 2.80556 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 170 DUNBRACK 16.1475 RAREY 0.00444444 ADJUST DUNBRACK: 2.38787 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 175 DUNBRACK 15.9346 RAREY 0.00444444 ADJUST DUNBRACK: 2.17489 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 180 DUNBRACK 15.9263 RAREY 0.00444444 ADJUST DUNBRACK: 2.16662 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 185 DUNBRACK 16.1227 RAREY 0.00444444 ADJUST DUNBRACK: 2.36306 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 190 DUNBRACK 16.5239 RAREY 0.00444444 ADJUST DUNBRACK: 2.7642 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 195 DUNBRACK 17.1297 RAREY 0.00444444 ADJUST DUNBRACK: 3.37006 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 200 DUNBRACK 17.9403 RAREY 0.00888889 ADJUST DUNBRACK: 4.18062 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 205 DUNBRACK 18.9556 RAREY 0.164444 ADJUST DUNBRACK: 5.19589 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 210 DUNBRACK 20.1755 RAREY 0.542222 ADJUST DUNBRACK: 6.41587 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 215 DUNBRACK 21.6002 RAREY 1.58667 ADJUST DUNBRACK: 7.84056 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 220 DUNBRACK 23.2296 RAREY 3.74222 ADJUST DUNBRACK: 9.46996 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 225 DUNBRACK 25.0637 RAREY 7.00889 ADJUST DUNBRACK: 11.3041 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 230 DUNBRACK 27.1025 RAREY 11.3867 ADJUST DUNBRACK: 13.3429 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 235 DUNBRACK 29.3461 RAREY 16.8756 ADJUST DUNBRACK: 15.5864 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 240 DUNBRACK 31.7943 RAREY 23.4756 ADJUST DUNBRACK: 18.0346 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 245 DUNBRACK 21.1578 RAREY 16.8756 ADJUST DUNBRACK: 7.39809 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 250 DUNBRACK 20.4494 RAREY 11.3867 ADJUST DUNBRACK: 6.68975 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 255 DUNBRACK 19.8635 RAREY 7.00889 ADJUST DUNBRACK: 6.10383 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 260 DUNBRACK 19.4 RAREY 3.74222 ADJUST DUNBRACK: 5.64035 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 265 DUNBRACK 19.059 RAREY 1.58667 ADJUST DUNBRACK: 5.29929 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 270 DUNBRACK 18.8403 RAREY 0.542222 ADJUST DUNBRACK: 5.08066 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 275 DUNBRACK 18.7441 RAREY 0.164444 ADJUST DUNBRACK: 4.98447 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 280 DUNBRACK 18.7704 RAREY 0.00888889 ADJUST DUNBRACK: 5.0107 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 285 DUNBRACK 18.919 RAREY 0.00444444 ADJUST DUNBRACK: 5.15937 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 290 DUNBRACK 19.1901 RAREY 0.00444444 ADJUST DUNBRACK: 5.43046 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 295 DUNBRACK 19.5837 RAREY 0.00444444 ADJUST DUNBRACK: 5.82399 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 300 DUNBRACK 20.0996 RAREY 0.00444444 ADJUST DUNBRACK: 6.33994 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 305 DUNBRACK 20.738 RAREY 0.00444444 ADJUST DUNBRACK: 6.97833 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 310 DUNBRACK 21.4988 RAREY 0.00444444 ADJUST DUNBRACK: 7.73914 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 315 DUNBRACK 22.3821 RAREY 0.00444444 ADJUST DUNBRACK: 8.62239 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 320 DUNBRACK 23.3877 RAREY 0.00888889 ADJUST DUNBRACK: 9.62806 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 325 DUNBRACK 24.5158 RAREY 0.164444 ADJUST DUNBRACK: 10.7562 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 330 DUNBRACK 25.7664 RAREY 0.542222 ADJUST DUNBRACK: 12.0067 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 335 DUNBRACK 27.1393 RAREY 1.58667 ADJUST DUNBRACK: 13.3797 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 340 DUNBRACK 28.6347 RAREY 3.74222 ADJUST DUNBRACK: 14.8751 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 345 DUNBRACK 30.2525 RAREY 7.00889 ADJUST DUNBRACK: 16.4929 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 350 DUNBRACK 31.9928 RAREY 11.3867 ADJUST DUNBRACK: 18.2331 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 2 angle 355 DUNBRACK 33.8555 RAREY 16.8756 ADJUST DUNBRACK: 20.0958 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 0 DUNBRACK 15.9067 RAREY 0.00444444 ADJUST DUNBRACK: 2.14702 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 5 DUNBRACK 15.8798 RAREY 0.00444444 ADJUST DUNBRACK: 2.12011 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 10 DUNBRACK 15.8578 RAREY 0.00444444 ADJUST DUNBRACK: 2.09812 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 15 DUNBRACK 15.8567 RAREY 0.00444444 ADJUST DUNBRACK: 2.09701 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 20 DUNBRACK 15.8633 RAREY 0.00444444 ADJUST DUNBRACK: 2.10363 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 25 DUNBRACK 15.8655 RAREY 0.00444444 ADJUST DUNBRACK: 2.10588 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 30 DUNBRACK 15.8847 RAREY 0.542222 ADJUST DUNBRACK: 2.12502 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 35 DUNBRACK 15.9411 RAREY 0.164444 ADJUST DUNBRACK: 2.18145 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 40 DUNBRACK 16.0185 RAREY 0.00888889 ADJUST DUNBRACK: 2.25887 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 45 DUNBRACK 16.0932 RAREY 0.00444444 ADJUST DUNBRACK: 2.33352 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 50 DUNBRACK 16.1483 RAREY 0.00444444 ADJUST DUNBRACK: 2.38868 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 55 DUNBRACK 16.1812 RAREY 0.00444444 ADJUST DUNBRACK: 2.42153 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 60 DUNBRACK 16.2376 RAREY 0.00444444 ADJUST DUNBRACK: 2.4779 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 65 DUNBRACK 16.3584 RAREY 0.00444444 ADJUST DUNBRACK: 2.59877 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 70 DUNBRACK 16.5167 RAREY 0.00444444 ADJUST DUNBRACK: 2.75707 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 75 DUNBRACK 16.6797 RAREY 0.00444444 ADJUST DUNBRACK: 2.92008 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 80 DUNBRACK 16.8604 RAREY 0.00888889 ADJUST DUNBRACK: 3.10076 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 85 DUNBRACK 17.0741 RAREY 0.164444 ADJUST DUNBRACK: 3.31443 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 90 DUNBRACK 17.3001 RAREY 0.542222 ADJUST DUNBRACK: 3.54043 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 95 DUNBRACK 17.5109 RAREY 1.58667 ADJUST DUNBRACK: 3.75121 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 100 DUNBRACK 17.6873 RAREY 3.74222 ADJUST DUNBRACK: 3.92767 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 105 DUNBRACK 17.8172 RAREY 7.00889 ADJUST DUNBRACK: 4.05758 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 110 DUNBRACK 17.9071 RAREY 11.3867 ADJUST DUNBRACK: 4.14746 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 115 DUNBRACK 17.9694 RAREY 16.8756 ADJUST DUNBRACK: 4.20977 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 120 DUNBRACK 18.0214 RAREY 23.4756 ADJUST DUNBRACK: 4.26174 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 125 DUNBRACK 18.0815 RAREY 31.1867 ADJUST DUNBRACK: 4.32183 ADJUST RAREY: 31.1784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 130 DUNBRACK 18.1683 RAREY 40.0089 ADJUST DUNBRACK: 4.40864 ADJUST RAREY: 40.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 135 DUNBRACK 18.296 RAREY 49.9422 ADJUST DUNBRACK: 4.5363 ADJUST RAREY: 49.9339 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 140 DUNBRACK 18.4605 RAREY 60.9867 ADJUST DUNBRACK: 4.70081 ADJUST RAREY: 60.9784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 145 DUNBRACK 18.6451 RAREY 73.1422 ADJUST DUNBRACK: 4.88545 ADJUST RAREY: 73.1339 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 150 DUNBRACK 18.8006 RAREY 86.4089 ADJUST DUNBRACK: 5.04089 ADJUST RAREY: 86.4006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 155 DUNBRACK 18.879 RAREY 100.787 ADJUST DUNBRACK: 5.11936 ADJUST RAREY: 100.778 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 160 DUNBRACK 18.8717 RAREY 116.276 ADJUST DUNBRACK: 5.11206 ADJUST RAREY: 116.267 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 165 DUNBRACK 18.7875 RAREY 132.876 ADJUST DUNBRACK: 5.02784 ADJUST RAREY: 132.867 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 170 DUNBRACK 18.6667 RAREY 150.587 ADJUST DUNBRACK: 4.90705 ADJUST RAREY: 150.578 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 175 DUNBRACK 18.5523 RAREY 169.409 ADJUST DUNBRACK: 4.79268 ADJUST RAREY: 169.401 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 180 DUNBRACK 18.4664 RAREY 189.342 ADJUST DUNBRACK: 4.70674 ADJUST RAREY: 189.334 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 185 DUNBRACK 18.4229 RAREY 169.409 ADJUST DUNBRACK: 4.66323 ADJUST RAREY: 169.401 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 190 DUNBRACK 18.4249 RAREY 150.587 ADJUST DUNBRACK: 4.66522 ADJUST RAREY: 150.578 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 195 DUNBRACK 18.4647 RAREY 132.876 ADJUST DUNBRACK: 4.70507 ADJUST RAREY: 132.867 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 200 DUNBRACK 18.5029 RAREY 116.276 ADJUST DUNBRACK: 4.74326 ADJUST RAREY: 116.267 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 205 DUNBRACK 18.4977 RAREY 100.787 ADJUST DUNBRACK: 4.73803 ADJUST RAREY: 100.778 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 210 DUNBRACK 18.4301 RAREY 86.4089 ADJUST DUNBRACK: 4.67045 ADJUST RAREY: 86.4006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 215 DUNBRACK 18.2978 RAREY 73.1422 ADJUST DUNBRACK: 4.53814 ADJUST RAREY: 73.1339 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 220 DUNBRACK 18.1416 RAREY 60.9867 ADJUST DUNBRACK: 4.38192 ADJUST RAREY: 60.9784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 225 DUNBRACK 18.0063 RAREY 49.9422 ADJUST DUNBRACK: 4.24661 ADJUST RAREY: 49.9339 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 230 DUNBRACK 17.9094 RAREY 40.0089 ADJUST DUNBRACK: 4.14972 ADJUST RAREY: 40.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 235 DUNBRACK 17.8572 RAREY 31.1867 ADJUST DUNBRACK: 4.09757 ADJUST RAREY: 31.1784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 240 DUNBRACK 17.8386 RAREY 23.4756 ADJUST DUNBRACK: 4.07891 ADJUST RAREY: 23.4673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 245 DUNBRACK 17.8352 RAREY 16.8756 ADJUST DUNBRACK: 4.07552 ADJUST RAREY: 16.8673 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 250 DUNBRACK 17.8184 RAREY 11.3867 ADJUST DUNBRACK: 4.05878 ADJUST RAREY: 11.3784 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 255 DUNBRACK 17.7601 RAREY 7.00889 ADJUST DUNBRACK: 4.00048 ADJUST RAREY: 7.0006 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 260 DUNBRACK 17.6441 RAREY 3.74222 ADJUST DUNBRACK: 3.88439 ADJUST RAREY: 3.73394 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 265 DUNBRACK 17.4666 RAREY 1.58667 ADJUST DUNBRACK: 3.70698 ADJUST RAREY: 1.57838 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 270 DUNBRACK 17.2633 RAREY 0.542222 ADJUST DUNBRACK: 3.5036 ADJUST RAREY: 0.533936 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 275 DUNBRACK 17.0762 RAREY 0.164444 ADJUST DUNBRACK: 3.31653 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 280 DUNBRACK 16.9365 RAREY 0.00888889 ADJUST DUNBRACK: 3.17679 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 285 DUNBRACK 16.8555 RAREY 0.00444444 ADJUST DUNBRACK: 3.09579 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 290 DUNBRACK 16.7774 RAREY 0.00444444 ADJUST DUNBRACK: 3.01768 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 295 DUNBRACK 16.6491 RAREY 0.00444444 ADJUST DUNBRACK: 2.8894 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 300 DUNBRACK 16.4959 RAREY 0.00444444 ADJUST DUNBRACK: 2.73626 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 305 DUNBRACK 16.3588 RAREY 0.00444444 ADJUST DUNBRACK: 2.59916 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 310 DUNBRACK 16.2626 RAREY 0.00444444 ADJUST DUNBRACK: 2.5029 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 315 DUNBRACK 16.2176 RAREY 0.00444444 ADJUST DUNBRACK: 2.45795 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 320 DUNBRACK 16.193 RAREY 0.00888889 ADJUST DUNBRACK: 2.43338 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 325 DUNBRACK 16.1581 RAREY 0.164444 ADJUST DUNBRACK: 2.39845 ADJUST RAREY: 0.156158 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 330 DUNBRACK 16.124 RAREY 0.00888889 ADJUST DUNBRACK: 2.36436 ADJUST RAREY: 0.00060275 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 335 DUNBRACK 16.1035 RAREY 0.00444444 ADJUST DUNBRACK: 2.34381 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 340 DUNBRACK 16.0732 RAREY 0.00444444 ADJUST DUNBRACK: 2.31354 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 345 DUNBRACK 16.0133 RAREY 0.00444444 ADJUST DUNBRACK: 2.25368 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 350 DUNBRACK 15.9536 RAREY 0.00444444 ADJUST DUNBRACK: 2.19398 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} Resi 2 chi 3 angle 355 DUNBRACK 15.9242 RAREY 0.00444444 ADJUST DUNBRACK: 2.16451 ADJUST RAREY: -0.00384169 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} RareyRotamerLibraryTests::test_derivatives() interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 1 N3 -- C14 -- C9 -- C1 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 2 C3 -- C10 -- C15 -- F1 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 3 C5 -- C11 -- N2 -- C13 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 4 N3 -- S1 -- C12 -- C7 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 5 C11 -- N2 -- C13 -- N1 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 6 C9 -- C14 -- N3 -- S1 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} U04 CHI 7 C14 -- N3 -- S1 -- C12 interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK INPUT interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] Puzzle: One Small Clash. Id: 11. Start score: 4095.52. Difference between energies: 1.89795e-06 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] Running 2 tests Test suite: InterpolateTest (../../source/test/numeric/interpolate.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK ON ROTAMER interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] Loading filters dictionary file 'aarestriction.filters' Creating filter Initializing WrappedPose Scoring pose interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 Running 6 tests Test suite: KDTreeTests (../../source/test/numeric/kdtree/kdtree.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK TOL1 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] >>>>>>>>>>>>>>>>>>>>>>>>> 8 StartingScore: 27.2434 27.2434 == Checking Puzzle Test Puzzle 0000000009 Checking puzzle 9 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] Running 1 test Running 1 test Test suite: MathMatrix_serialization (../../source/test/numeric/MathMatrix_serialization.cxxtest.hh) Test suite: MathNTensorIOTests (../../source/test/numeric/MathNTensor_io.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] scoring/loop_close/6D_potentials/rna/loop_01/potential.txt.gz interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] Test distance in reference conformation Test distance falls in distogram bin16 Test logit-probability conversion Test cross entropy calculation for residue pair interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] Test cross entropy 9mer mask and smoothing interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 Applying filter 'Amino Acid Restriction' interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] Testing results of filter Amino Acid Restriction Expected is_bonus: 0 Expected is_satisfied: 0 Expected detail: interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] Expected summary: GLY: exceeds static limit of 2 by 2 is_bonus: 0 is_satisfied: 0 detail: interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 summary: GLY: exceeds static limit of 2 by 2 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] Running 2 tests Test suite: MathNTensorTests (../../source/test/numeric/MathNTensor.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK TOL1 neg interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] Running 1 test Test suite: MinimalClashHashTest (../../source/test/numeric/geometry/hashing/MinimalClashHash.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] Puzzle: Backbones Collide. Id: 12. Start score: 4807.84. Difference between energies: 2.5184e-06 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK TOL2 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] Running 2 tests Test suite: minimum_bounding_ellipse (../../source/test/numeric/linear_algebra/minimum_bounding_ellipse.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] Trace: Test correct ellipse generation interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 Trace: Test point in ellipse interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] Running 5 tests Test suite: NumericFunctionsTests (../../source/test/numeric/numeric.functions.cxxtest.hh) Running 1 test Running 1 test Test suite: OneDHistogramTests (../../source/test/numeric/histograms/OneDHistogram.cxxtest.hh) Test suite: MultiDimensionalHistogramTests (../../source/test/numeric/MultiDimensionalHistogram.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibraryTests.cxxtest: {0} ------------------------------- DERIV CHECK TOL2 neg interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] Running 7 tests Test suite: NumericUtilTests (../../source/test/numeric/util.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] Running 2 tests Test suite: PCATests (../../source/test/numeric/PCA.cxxtest.hh) interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] ***** TEST FilterTests test_abego_filter ***** interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] Running 4 tests Test suite: polycubic_catmull_rom_Tests (../../source/test/numeric/interpolation/polycubic_catmull_rom.cxxtest.hh) >>>>>>>>>>>>>>>>>>>>>>>>> 9 StartingScore: 197.172 197.172 == Checking Puzzle Test Puzzle 0000000010 Checking puzzle 10 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 90.0051 rosetta 90.0051 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [-150, -120, -90, -60, -30, 0, 30, 60, 90, 120, 150, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 0.000969 rosetta 0.000969 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 3 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -149.998 rosetta -149.998 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [60, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 4 using chi set [-90, 90] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -89.9997 rosetta -89.9997 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [50, 50] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 5 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 29.9957 rosetta 29.9957 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 6 using chi set [-90, 90, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 152.571 rosetta 152.571 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30, 60] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 7 using chi set [-80, 80] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey 59.9942 rosetta 59.9942 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 1 using chi set [-130, -50, 50, 130] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset -179.94 rarey -89.9405 rosetta 89.9992 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [20, 20, 20, 20] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [30, 25, 25, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} For chi 2 using chi set [0, 180] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Offset 0 rarey -2.50027 rosetta -2.50027 interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL1 [30, 30] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} TOL2 [40, 40] interactive.rosetta_util.ligand.RareyRotamerLibrary: {0} Skipping rotamer generation for ligand U01 without sample-able torsions Puzzle: Swing It Around. Id: 13. Start score: 0. Difference between energies: -4.22896e-05 Running 7 tests Test suite: PolycubicSplineTests (../../source/test/numeric/interpolation/spline/PolycubicSpline.cxxtest.hh) Setting up filter test Loading pose '2011852_y8478.pdb' Running 6 tests Test suite: ProbUtil (../../source/test/numeric/prob_util.cxxtest.hh) Running 3 tests Test suite: random_functionsTests (../../source/test/numeric/random/random.functions.cxxtest.hh) Running 3 tests Test suite: QuaternionTests (../../source/test/numeric/Quaternion.cxxtest.hh) Running 1 test Test suite: random_xyzTests (../../source/test/numeric/random/random_xyz.cxxtest.hh) Running 3 tests Test suite: RandomSystemTests (../../source/test/numeric/random.cxxtest.hh) Loading filters dictionary file 'abego.filters' Creating filter Initializing WrappedPose Scoring pose >>>>>>>>>>>>>>>>>>>>>>>>> 10 StartingScore: 119.233 119.233 ***** TEST PuzzleTests test_puzzle_server ***** *********************************************************************** * * * * * game:PuzzleTests::test_puzzle_server * * DISABLED DUE TO MISSING PUZZLE FILES ON THE SERVER * * * * * *********************************************************************** Puzzle: Shake!. Id: 14. Start score: 0. Difference between energies: 2.40946e-05 Applying filter 'Ideal Loops' Testing results of filter Ideal Loops Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: See the Blueprint tool for examples of Ideal Loops. Expected summary: Found 1 non-ideal loops (click SHOW to highlight) is_bonus: 1 is_satisfied: 1 detail: See the Blueprint tool for examples of Ideal Loops. summary: Found 1 non-ideal loops (click SHOW to highlight) bonus: -40 Running 1 test Test suite: ReservoirSamplingTests (../../source/test/numeric/random/reservoir_sample.cxxtest.hh) Running 4 tests Test suite: RingPlaneFunctionsTests (../../source/test/numeric/geometry/ring_plane.functions.cxxtest.hh) Running 3 tests Test suite: SphericalVectorTests (../../source/test/numeric/sphericalVector.cxxtest.hh) Running 1 test Test suite: TricubicSplineTests (../../source/test/numeric/interpolation/spline/TricubicSpline.cxxtest.hh) Running 3 tests Test suite: StatisticsFunctionsTests (../../source/test/numeric/statistics.functions.cxxtest.hh) ***** TEST FilterTests test_buns_filter ***** check_poses ../interactive/util/binary_pose2.pdb GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: TwoDHistogramTests (../../source/test/numeric/histograms/TwoDHistogram.cxxtest.hh) Setting up filter test Loading pose '2011852_y8478.pdb' Running 3 tests Test suite: VoxelGridTests (../../source/test/numeric/VoxelGrid.cxxtest.hh) Trace: Creating 3D VoxelGrid with 8000 members. Trace: Retrieve neighbors of point (0.5, 0.5, 0.5) within 1.0 neighborhood radius. Trace: Retrieve neighbors of point (4.5, 4.5, 4.5) within 1.0 neighborhood radius. Trace: Retrieve neighbors of point (4.5, 0.5, 0.5) within 1.0 neighborhood radius. Trace: Retrieve neighbors between two voxel grids within 1.0 neighborhood radius. Trace: Retrieve all neighbors of this grid within 0.30 neighborhood radius. Running 3 tests Test suite: VoxelArrayTest (../../source/test/numeric/VoxelArray.cxxtest.hh) Trace: Retrieve all neighbors of this grid within 0.20 neighborhood radius. Trace: Creating 1D VoxelGrid with 84 members. Trace: Retrieve neighbors of point (1.5, 1.5, 1.5) within 1.0 neighborhood radius. Trace: Retrieve neighbors between two voxel grids within 0.2 neighborhood radius. Trace: Retrieve all neighbors of this grid within 0.30 neighborhood radius. Trace: Retrieve all neighbors of this grid within 0.18 neighborhood radius. Puzzle: Cut and Paste. Id: 15. Start score: 0. Difference between energies: -8.78672e-06 Running 2 tests Test suite: WeightedReservoirSamplerTest (../../source/test/numeric/random/WeightedReservoirSampler.cxxtest.hh) check_poses ../interactive/util/multichain.pdb check_poses ../interactive/util/disulfide_histidine.pdb Running 1 test Test suite: WeightedSamplerTests (../../source/test/numeric/random/WeightedSampler.cxxtest.hh) Loading filters dictionary file 'buns.filters' Creating filter Initializing WrappedPose Scoring pose Running 10 tests Test suite: XYZFunctionsTests (../../source/test/numeric/xyz.functions.cxxtest.hh) Running 10 tests Test suite: XYZMatrixTests (../../source/test/numeric/xyzMatrix.cxxtest.hh) Running 4 tests Test suite: WrapAnglesTest (../../source/test/numeric/WrapAngles.cxxtest.hh) Running 1 test Test suite: XYZTransformTests (../../source/test/numeric/xyzTransform.cxxtest.hh) CP: 3 Running 7 tests Test suite: XYZTripleTests (../../source/test/numeric/xyzTriple.cxxtest.hh) Running 8 tests Running 1 test Test suite: XYZVectorTests (../../source/test/numeric/xyzVector.cxxtest.hh) Test suite: OpenPDBinStandaloneTests (../../source/test/standalone/application/OpenPDBInStandalone.cxxtest.hh) ***** TEST OpenPDBinStandaloneTests test_loadingPDB ***** CP: 1 Applying filter 'Buried Unsats' Testing results of filter Buried Unsats Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Buried unsatisfied atoms (BUNS) need to make hydrogen bonds. Create a bond between a red and blue atom to satisfy these atoms! Expected summary: 6 buried polars found. (Click SHOW to highlight) is_bonus: 1 is_satisfied: 1 detail: Buried unsatisfied atoms (BUNS) need to make hydrogen bonds. Create a bond between a red and blue atom to satisfy these atoms! summary: 6 buried polars found. (Click SHOW to highlight) bonus: 10 ***** TEST RosettaUtilTests test_fold_tree_binary ***** ***** TEST RosettaUtilTests test_mapping_from_selection ***** ***** TEST FilterTests test_contactms_filter ***** Running 2 tests Test suite: ProfanityFilterTests (../../source/test/standalone/application/novice/ProfanityFilter.cxxtest.hh) ***** TEST ProfanityFilterTests test_plaintext ***** ***** TEST ProfanityFilterTests test_xor ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Setting up filter test Loading pose '2011852_y8478.pdb' Running 3 tests Test suite: BitSetTests (../../source/test/utility/BitSet.cxxtest.hh) Running 1 test Test suite: BufferedSignalHubTests (../../source/test/utility/signals/BufferedSignalHub.cxxtest.hh) Running 7 tests Test suite: ArrayPoolTests (../../source/test/utility/graph/ArrayPool.cxxtest.hh) Running 3 tests Test suite: BitVectorTests (../../source/test/utility/BitVector.cxxtest.hh) Running 1 test Test suite: AutoKeyTests (../../source/test/utility/keys/AutoKey.cxxtest.hh) Running 3 tests Test suite: DatabaseSessionManagerTests (../../source/test/utility/sql_database/DatabaseSessionManagerTests.cxxtest.hh) Running 1 test Test suite: DatingUtilitiesTests (../../source/test/utility/dating.cxxtest.hh) Running 2 tests Test suite: DeepCopyOPTests (../../source/test/utility/pointer/deep_copy.cxxtest.hh) Running 4 tests Test suite: DeepCopyVector1Tests (../../source/test/utility/deep_copy_vector1.cxxtest.hh) Loading filters dictionary file 'contactms.filters' Creating filter Initializing WrappedPose Scoring pose Running 1 test Test suite: DenseBoolMapTests (../../source/test/utility/DenseBoolMap.cxxtest.hh) Running 1 test Test suite: DisjointSetsTests (../../source/test/utility/graph/DisjointSets.cxxtest.hh) Running 1 test Running 6 tests Test suite: FileSysUtilTests (../../source/test/utility/file/file_sys_util.cxxtest.hh) Test suite: FileContentsMapTests (../../source/test/utility/io/FileContentsMap.cxxtest.hh) Running 12 tests Test suite: GraphTests (../../source/test/utility/graph/Graph.cxxtest.hh) Running 1 test Test suite: FactoryTests (../../source/test/utility/factory/Factory.cxxtest.hh) Running 2 tests Test suite: FileNameTests (../../source/test/utility/file/FileName.cxxtest.hh) Running 9 tests Test suite: heapTests (../../source/test/utility/heap.cxxtest.hh) Running 10 tests Test suite: in_place_listTests (../../source/test/utility/in_place_list.cxxtest.hh) Applying filter 'Contact Surface' Testing results of filter Contact Surface Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Target value is 500 or greater. Optimize binding interactions to improve contact molecular surface. Expected summary: Calculated: 429 is_bonus: 1 is_satisfied: 1 detail: Target value is 500 or greater. Optimize binding interactions to improve contact molecular surface. summary: Calculated: 429 bonus: -171.455 Running 6 tests Test suite: integer_mappingTests (../../source/test/utility/integer_mapping.cxxtest.hh) Running 1 test Running 5 tests Running 5 tests Test suite: Key4VectorTests (../../source/test/utility/keys/Key4Vector.cxxtest.hh) Test suite: IterUtilTest (../../source/test/utility/iter_util.cxxtest.hh) Test suite: json_utilitiesTests (../../source/test/utility/json/json_utilitiesTests.cxxtest.hh) Running 4 tests Test suite: IZStreamTests (../../source/test/utility/io/izstream.cxxtest.hh) Running 1 test Test suite: Key4TupleTests (../../source/test/utility/keys/Key4Tuple.cxxtest.hh) ***** TEST FilterTests test_ddg_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 3 tests Test suite: KeyVectorTests (../../source/test/utility/keys/ClassKeyVector.cxxtest.hh) Running 2 tests Test suite: KeyMapTests (../../source/test/utility/keys/ClassKeyMap.cxxtest.hh) Puzzle: Hide the Hydrophobic. Id: 31. Start score: 4324.21. Difference between energies: -3.01602e-06 Setting up filter test Loading pose '2011852_y8478.pdb' Running 9 tests Test suite: LowMemGraphTests (../../source/test/utility/graph/LowMemGraph.cxxtest.hh) Running 13 tests Test suite: LexicographicalIteratorTests (../../source/test/utility/LexicographicalIterator.cxxtest.hh) Running 1 test Test suite: make_shared_Tests (../../source/test/utility/pointer/make_shared.cxxtest.hh) Loading filters dictionary file 'ddg.filters' Creating filter Initializing WrappedPose Scoring pose Running 8 tests Test suite: MinMaxTest (../../source/test/utility/minmax.cxxtest.hh) Applying filter 'DDG' Testing results of filter DDG Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Target DDG is -40 or less. Optimize binding interactions to improve DDG. Expected summary: Calculated DDG: -38.4 kcal/mol. is_bonus: 1 is_satisfied: 1 detail: Target DDG is -40 or less. Optimize binding interactions to improve DDG. summary: Calculated DDG: -38.4 kcal/mol. bonus: -191.96 Running 1 test Test suite: OptionCollectionTests (../../source/test/utility/options/OptionCollection.cxxtest.hh) Running 4 tests Running 3 tests Test suite: OrderedTupleTests (../../source/test/utility/OrderedTuple.cxxtest.hh) Test suite: PathNameTests (../../source/test/utility/file/PathName.cxxtest.hh) Running 4 tests Test suite: ReadWriteMutexTests (../../source/test/utility/thread/ReadWriteMutex.cxxtest.hh) Running 1 test Test suite: PausableSignalHubTests (../../source/test/utility/signals/PausableSignalHub.cxxtest.hh) ***** TEST FilterTests test_disulfide_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 6 tests Test suite: RecentHistoryQueueTests (../../source/test/utility/recent_history_queue.cxxtest.hh) Setting up filter test Loading pose '0000994455.ir_puzzle.pdb' Puzzle: Close the Gap. Id: 32. Start score: 6248.53. Difference between energies: 4.58417e-06 Loading filters dictionary file 'disulfide.filters' Creating filter Initializing WrappedPose Scoring pose Applying filter 'Disulfide Count' Testing results of filter Disulfide Count Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Connect more yellow-tipped sidechains to create disulfide bonds! Expected summary: 0 disulfide bond(s) created (too few). is_bonus: 1 is_satisfied: 1 detail: Connect more yellow-tipped sidechains to create disulfide bonds! summary: 0 disulfide bond(s) created (too few). bonus: 0 Running 6 tests Test suite: RingDetectionTests (../../source/test/utility/graph/ring_detection.cxxtest.hh) ***** TEST FilterTests test_dssp_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 4 tests Test suite: SignalHubTests (../../source/test/utility/signals/SignalHub.cxxtest.hh) Setting up filter test Loading pose '2012327_u0027.pdb' Running 7 tests Test suite: SimulateMPITests (../../source/test/utility/simulate_mpi.cxxtest.hh) Loading filters dictionary file 'dssp.filters' Creating filter Initializing WrappedPose Scoring pose Applying filter 'Secondary Structure' Testing results of filter Secondary Structure Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Make sheets or loops using Structure mode (Or Select > L in the Selection interface) Expected summary: You have 9 too many residues in helices. is_bonus: 1 is_satisfied: 1 detail: Make sheets or loops using Structure mode (Or Select > L in the Selection interface) summary: You have 9 too many residues in helices. bonus: -41 Running 2 tests Running 80 tests Test suite: SmallKeyVectorTests (../../source/test/utility/keys/SmallKeyVector.cxxtest.hh) Test suite: TagTests (../../source/test/utility/tag/Tag.cxxtest.hh) Running 4 tests Test suite: SmallVector1_Tests (../../source/test/utility/small_vector1.cxxtest.hh) Running 2 tests Test suite: SortFunctionsTest (../../source/test/utility/sort.functions.cxxtest.hh) Running 2 tests Test suite: SmallKeyMapTests (../../source/test/utility/keys/SmallKeyMap.cxxtest.hh) Running 19 tests Test suite: StringUtilTests (../../source/test/utility/string_util.cxxtest.hh) ***** TEST FilterTests test_hbnet_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: type_traits_Tests (../../source/test/utility/type_traits.cxxtest.hh) Running 1 test Test suite: TokenHubTests (../../source/test/utility/signals/TokenHub.cxxtest.hh) Setting up filter test Loading pose '2012327_u0027.pdb' Running 1 test Test suite: UtilityNumbersTests (../../source/test/utility/numbers.cxxtest.hh) Running 1 test Test suite: UserKeyTests (../../source/test/utility/keys/UserKey.cxxtest.hh) Loading filters dictionary file 'hbnet.filters' Loading symmetry file '2012327_u0027.sym' Puzzle: Wiggle!. Id: 33. Start score: 7717.91. Difference between energies: 4.92406e-07 Running 3 tests Test suite: UToolsTests (../../source/test/utility/UTools.cxxtest.hh) Creating filter Initializing WrappedPose Scoring pose Applying filter 'Hydrogen Bond Network' Testing results of filter Hydrogen Bond Network Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Networks must have at least 2 HBonds, 1 Interface HBonds, and satisfy at least 65% polars. You can get credit for up to 12 Interface bonds. Expected summary: Hover for requirements. Hover on network for details. is_bonus: 1 is_satisfied: 1 detail: Networks must have at least 2 HBonds, 1 Interface HBonds, and satisfy at least 65% polars. You can get credit for up to 12 Interface bonds. summary: Hover for requirements. Hover on network for details. bonus: -160 ***** TEST FilterTests test_layer_score_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Running 1 test Test suite: UTracerTests (../../source/test/utility/UTracer.cxxtest.hh) Setting up filter test Loading pose '0000993686.ir_puzzle.pdb' ../standalone/application/PDB/1bna.pdb opening succesful Running 6 tests Running 6 tests Test suite: Vector1_Tests (../../source/test/utility/vector1.cxxtest.hh) Test suite: Vector0Tests (../../source/test/utility/vector0.cxxtest.hh) Running 9 tests Test suite: VectorLTests (../../source/test/utility/vectorL.cxxtest.hh) Running 6 tests Test suite: Vector1BoolTests (../../source/test/utility/vector1_bool.cxxtest.hh) Running 3 tests Test suite: Vector1FunctionsTests (../../source/test/utility/vector1.functions.cxxtest.hh) Running 6 tests Test suite: XMLSchemaValidationTests (../../source/test/utility/tag/validate_w_xsd.cxxtest.hh) Running 41 tests Test suite: XMLSchemaGenerationTests (../../source/test/utility/tag/XMLSchemaGeneration.cxxtest.hh) Loading filters dictionary file 'layerscore.filters' Creating filter Initializing WrappedPose Scoring pose Running 1 test Test suite: ZipStreamTests (../../source/test/utility/io/zipstream.cxxtest.hh) Applying filter 'Core Existence/Polar Core' Testing results of filter Core Existence/Polar Core Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Not enough residues in the core. Move surface (blue) residues into the core (4 to go). Take 12 hydrophilic residues out of the core. Expected summary: Not enough residues in the core. Too many polar residues in the core. is_bonus: 1 is_satisfied: 1 detail: Not enough residues in the core. Move surface (blue) residues into the core (4 to go). Take 12 hydrophilic residues out of the core. summary: Not enough residues in the core. Too many polar residues in the core. bonus: 64 ../standalone/application/PDB/1f27.pdb opening succesful ***** TEST FilterTests test_residue_ie_filter ***** Puzzle: Lock and Lower. Id: 42. Start score: 5630.66. Difference between energies: -9.80966e-07 GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Setting up filter test Loading pose '0000993686.ir_puzzle.pdb' Loading filters dictionary file 'residue_ie.filters' Creating filter Initializing WrappedPose Scoring pose Applying filter 'Interaction Energy' Testing results of filter Interaction Energy Expected is_bonus: 1 Expected is_satisfied: 1 Expected detail: Press TAB on each poorly scoring segment to find out more. Expected summary: 14 residue(s) are scoring too low. is_bonus: 1 is_satisfied: 1 detail: Press TAB on each poorly scoring segment to find out more. summary: 14 residue(s) are scoring too low. bonus: 104.617 Puzzle: Sheets and Ladders. Id: 43. Start score: 7168.21. Difference between energies: 6.33214e-07 ***** TEST FilterTests test_roscript_filter ***** GL INIT WAS CALLED!!! Using OpenGl version 3.1 Mesa 21.2.6 Puzzle: Sheets Together. Id: 50. Start score: 0. Difference between energies: 4.91792e-05 Puzzle: Lonely Sheets. Id: 51. Start score: 3426.73. Difference between energies: -4.72101e-06 ../standalone/application/PDB/1gli.pdb opening succesful Puzzle: Turn It Down. Id: 501. Start score: 0. Difference between energies: 4.21178e-05 Puzzle: The Right Rotation. Id: 502. Start score: 0. Difference between energies: 8.19561e-06 ../standalone/application/PDB/1nml.pdb opening succesful Puzzle: Remix. Id: 504. Start score: 7179.31. Difference between energies: -3.34734e-07 Puzzle: Flippin' Sheets. Id: 505. Start score: 871.923. Difference between energies: 1.71485e-06 Puzzle: Movin' Along. Id: 506. Start score: 6550.24. Difference between energies: 4.50613e-06 ../standalone/application/PDB/1nun.pdb opening succesful Puzzle: Swappin' Sidechains. Id: 602. Start score: 8786.77. Difference between energies: 2.52059e-07 Puzzle: Insertion and Deletion. Id: 604. Start score: 0. Difference between energies: -3.15852e-05 Puzzle: Intro to Design. Id: 605. Start score: 2126.87. Difference between energies: 7.74596e-08 Completed Game Application Test tear-down. ../standalone/application/PDB/2hhb.pdb opening succesful Puzzle: Mass Mutate. Id: 606. Start score: 6666.05. Difference between energies: 3.80527e-07 ERROR: Some linked residues were found to not share any residue types, though there may be more. The linked residues (Rosetta numbering) were: 1 33 ERROR:: Exit from: /home/benchmark/rosetta/source/src/core/pack/annealer/SequenceSymmetricAnnealer.cc line: 390 Puzzle: Ligand Constraints. Id: 607. Start score: 0. Difference between energies: 1.23543e-05 ERROR: Must specify a valid task operation of type KeepSequenceSymmetry. ERROR:: Exit from: /home/benchmark/rosetta/source/src/protocols/symmetry/SetupForSequenceSymmetryMover.cc line: 107 ERROR: Provided invalid residue selectors. Each linked residue selector must define the same number of residues. Selectors of type Chain and Index were found to specify 32 and 4 residue(s), respecitvely. ERROR:: Exit from: /home/benchmark/rosetta/source/src/protocols/symmetry/SetupForSequenceSymmetryMover.cc line: 151 basic.random.init_random_generator: {0} 'RNG device' seed mode, using '/dev/urandom', seed=951600939 seed_offset=0 real_seed=951600939 thread_index=0 basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=951600939 RG_type=mt19937 basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=1000 RG_type=mt19937 game.application.server.Server: {0} REQUEST: game.application.server.Server: {0} { "password" : "test_passwd1", "username" : "test_account1" } game.application.server.CurlFetcher: {0} https://fold.it/api/sign_in In ServerTests::test_login: ../../source/test/game/application/novice/server/Server.cxxtest.hh:86: Error: Test failed: Exception thrown from setUp() ../../source/test/game/application/novice/server/Server.cxxtest.hh:86: Error: Expected (suite()->setUp()) not to throw, but it did CXXTEST_ERROR: test_login Failed! ***** TEST ServerTests test_get_news ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_news: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_news Failed! ***** TEST ServerTests test_get_irc_server ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_irc_server: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_irc_server Failed! ***** TEST ServerTests test_get_puzzles ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_puzzles: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_puzzles Failed! ***** TEST ServerTests test_get_puzzle ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_puzzle: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_puzzle Failed! ***** TEST ServerTests test_post_gameplay_event ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_post_gameplay_event: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_post_gameplay_event Failed! ***** TEST ServerTests test_post_crash_report ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_post_crash_report: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_post_crash_report Failed! ***** TEST ServerTests test_recipe_library ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_recipe_library: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_recipe_library Failed! Failed 8 of 8 tests Success rate: 0% Puzzle: Reaction Design. Id: 608. Start score: 0. Difference between energies: 0.000460203 ../standalone/application/PDB/3hhb.pdb opening succesful Puzzle: Inside the Pocket. Id: 609. Start score: 10322.9. Difference between energies: -7.22504e-06 Puzzle: Fun with Fragments!. Id: 610. Start score: 10393.1. Difference between energies: -7.80087e-06 ../standalone/application/PDB/3tot.pdb opening succesful Puzzle: Ligand Debut. Id: 611. Start score: 7822.37. Difference between energies: -5.15153e-07 Puzzle: Quest to the Native. Id: 701. Start score: 5758.55. Difference between energies: -3.24252e-06 Puzzle: Electron Density. Id: 702. Start score: 10220.1. Difference between energies: 0.000125294 ../standalone/application/PDB/3tou.pdb opening succesful Puzzle: Control Over Clashing. Id: 704. Start score: 0. Difference between energies: -0.000345693 ../standalone/application/PDB/3uap.pdb opening succesful Puzzle: Hydrophobic Disaster. Id: 705. Start score: 3191.07. Difference between energies: 4.07666e-06 Puzzle: Make Five Bonds. Id: 801. Start score: 6209.05. Difference between energies: -4.94598e-06 ../standalone/application/PDB/3uar.pdb opening succesful Puzzle: Hello Blueprint. Id: 901. Start score: 6027.55. Difference between energies: 4.29847e-07 ../standalone/application/PDB/3ibk.pdb opening succesful Puzzle: More Building Blocks. Id: 902. Start score: 9085.94. Difference between energies: 3.5213e-06 ../standalone/application/PDB/4u6k.pdb opening succesful Puzzle: De-Novo: Final Test. Id: 903. Start score: 6288.16. Difference between energies: -2.47471e-06 Puzzle: Enter the Dojo. Id: 1001. Start score: 4095.52. Difference between energies: 1.89795e-06 Puzzle: A Simple Warm-Up. Id: 1002. Start score: 4807.84. Difference between energies: 2.5184e-06 Puzzle: Basic Sheets. Id: 1003. Start score: 3426.73. Difference between energies: -4.72101e-06 Puzzle: A Tricky Gap. Id: 1004. Start score: 6248.53. Difference between energies: 4.58417e-06 Puzzle: Wiggle Fast!. Id: 1005. Start score: 7717.91. Difference between energies: 4.92406e-07 Completed Game Application Test tear-down. Puzzle: Basic Bonding. Id: 1006. Start score: 0. Difference between energies: 4.91792e-05 Looking for handler for play offline Found this EventHandler: 0x7ff305075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x5649c1bf34d0 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7ff306962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7ff305425b80 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x5649c1dcde50 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x5649c1dd7e10 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5649c1c80dd0 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5649c1c80dd0 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Puzzle: White Belt Test (Mastery I). Id: 1007. Start score: 0. Difference between energies: -3.58653e-05 Puzzle: Proteins 101. Id: 1008. Start score: 0. Difference between energies: 0.000392709 Completed Game Application Test tear-down. Completed Game Application Test tear-down. Puzzle: Hotkeys 101. Id: 1009. Start score: 0. Difference between energies: 1.77048e-06 Puzzle: Spaghetti Mess. Id: 1010. Start score: 6806.61. Difference between energies: 4.18311e-06 Looking for handler for play offline Found this EventHandler: 0x7fecc9075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x55f1db5a05f0 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7fecca962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7fecc9425b80 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x55f1db77b020 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x55f1db784fe0 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db780b70 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db780b70 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Puzzle: Dojo 5. Id: 1011. Start score: 7388.47. Difference between energies: 4.91405e-07 Looking for handler for play offline Found this EventHandler: 0x7f6eed075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x560498e3a520 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7f6eee962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7f6eed425b80 Puzzle: Dojo 6. Id: 1012. Start score: 2941.91. Difference between energies: 2.14953e-06 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x56049901ab30 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x56049901ff10 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x56049901bcd0 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x56049901bcd0 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Looking for handler for play offline Found this EventHandler: 0x7eff05075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x558d85e67ab0 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7eff06962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7eff05425b80 Looking for handler for play offline Found this EventHandler: 0x7f9341075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x56369a3ea380 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7f9342962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7f9341425b80 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x558d86044ab0 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x558d8604c350 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x558d86048130 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x558d86048130 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x56369a57af00 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x56369a5cefe0 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x56369a5ca8b0 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x56369a5ca8b0 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Puzzle: Dojo 7. Id: 1013. Start score: 4513.64. Difference between energies: 2.81607e-06 Looking for handler for play offline Found this EventHandler: 0x7fbcd1075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x55fd85159140 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7fbcd2962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7fbcd1425b80 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x55fd852351c0 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x55fd8533e1e0 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55fd85339fa0 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55fd85339fa0 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Looking for handler for tool viewport Found this EventHandler: 0x7ff304cc1400 Trying to click on Undo Panel Button Looking for handler for Undo Panel Button Found this EventHandler: 0x7ff304c51dd0 Clicked on Undo Panel Button successfully! Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Puzzle: Dojo 8. Id: 1014. Start score: 0. Difference between energies: -4.92268e-07 Puzzle: Dojo 9. Id: 1015. Start score: 8014.59. Difference between energies: -1.31336e-07 Puzzle: Dojo 10. Id: 1016. Start score: 8759.14. Difference between energies: 2.9507e-07 Puzzle: Dojo 11. Id: 1017. Start score: 0. Difference between energies: 4.52671e-06 Looking for handler for tool viewport Found this EventHandler: 0x7fecc8cc1400 SCORES: 40.571503193656795361, 40.571503193656795361/40.571503193656795361 Puzzle: Dojo 12. Id: 1018. Start score: 0. Difference between energies: -3.41909e-05 Puzzle: Dojo 13. Id: 1019. Start score: 6612.08. Difference between energies: 4.37079e-06 Looking for handler for tool viewport Found this EventHandler: 0x7f6eeccc1400 ****************************** * Starting: script_scoring.lua ****************************** %%> StartOver %%> GetScore %%> StartOver %%> WiggleAll Looking for handler for tool viewport Found this EventHandler: 0x7f9340cc1400 ****************************** * Starting: script_general.lua ****************************** %%> DeleteAll Looking for handler for tool viewport Found this EventHandler: 0x7eff04cc1400 ****************************** * Starting: script_check_rebuild.lua ****************************** %%> GetScore %%> GetCount %%> print %% 80 %%> DeselectAll %%> SelectRange %%> print %% 1 %%> GetSegmentEnergyScore %%> print %% -33.248612446337 %%> RebuildSelected %%> DeselectAll %%> UnfreezeAll %%> AreConditionsMet %%> assert %%> GetEnergyScore %%> assert %%> GetExplorationMultiplier %%> assert %%> GetScore %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> print %% subscore=-33.248612446337 energyscore=-33.248612446337 %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetScore %%> Restore %%> GetScore %%> assert %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> GetCount %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> Delete %%> GetCount %%> assert %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> Disable %%> IsEnabled %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> DisableAll %%> IsEnabled %%> assert %%> IsEnabled %%> assert %%> DeleteAll %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> Disable %%> Enable %%> IsEnabled %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> DisableAll %%> EnableAll %%> IsEnabled %%> assert %%> IsEnabled %%> assert %%> DeleteAll %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> GetCount %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> SetGoalLength %%> GetGoalLength %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> SetStrength %%> GetStrength %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> IsEnabled %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> SetGoalLength %%> GetGoalLength %%> assert %%> Delete %%> GetCount %%> assert %%> AddBetweenSegments ActionBandAddAtomAtom band created %%> SetStrength %%> GetStrength %%> assert %%> Delete %%> SetClashImportance %%> GetClashImportance %%> assert %%> SetClashImportance %%> GetClashImportance %%> assert %%> SetClashImportance %%> GetClashImportance %%> assert %%> SetClashImportance %%> AreConditionsMet %%> assert %%> GetEnergyScore %%> assert %%> GetExplorationMultiplier %%> assert %%> GetScore %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetScore %%> Restore %%> GetScore %%> assert %%> AreConditionsMet %%> assert %%> GetEnergyScore %%> assert %%> GetExplorationMultiplier %%> assert %%> GetScore %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetCount %%> assert %%> Freeze %%> IsFrozen %%> assert %%> assert %%> UnfreezeAll %%> Freeze %%> IsFrozen %%> assert %%> assert %%> UnfreezeAll %%> Freeze %%> IsFrozen %%> assert %%> assert %%> UnfreezeAll %%> GetCount %%> assert %%> FreezeAll %%> GetCount %%> GetCount %%> assert %%> GetCount %%> assert %%> UnfreezeAll %%> GetCount %%> assert %%> DeselectAll %%> Select %%> FreezeSelected %%> IsFrozen %%> assert %%> assert %%> DeselectAll %%> UnfreezeAll %%> GetCount %%> assert %%> DeselectAll %%> Select %%> FreezeSelected %%> IsFrozen %%> assert %%> assert %%> DeselectAll %%> UnfreezeAll %%> GetCount %%> assert %%> DeselectAll %%> Select %%> FreezeSelected %%> IsFrozen %%> assert %%> assert %%> DeselectAll %%> UnfreezeAll %%> GetCount %%> assert %%> DeselectAll Puzzle: Dojo 14. Id: 1020. Start score: 9486.95. Difference between energies: -2.56214e-06 %%> Select %%> FreezeSelected %%> GetCount %%> assert %%> assert %%> DeselectAll %%> UnfreezeAll %%> GetCount %%> assert %%> DeselectAll %%> Select %%> FreezeSelected %%> IsFrozen %%> assert %%> assert %%> UnfreezeAll %%> DeselectAll %%> GetCount %%> assert %%> FreezeAll %%> Unfreeze %%> IsFrozen %%> assert %%> assert %%> FreezeAll %%> Unfreeze %%> IsFrozen %%> assert %%> assert %%> FreezeAll %%> Unfreeze %%> IsFrozen %%> assert %%> assert %%> UnfreezeAll %%> GetCount %%> assert %%> FreezeAll %%> UnfreezeAll %%> GetCount %%> assert %%> assert %%> GetDescription %%> len %%> assert %%> print %% Puzzle Description: Generated cache entry. %%> GetExpirationTime %%> time %%> assert %%> date %%> print %% Puzzle Expiration:Wed Dec 31 19:00:00 1969 %%> GetName %%> len %%> assert %%> print %% Puzzle Name:Test Puzzle 0000000001 %%> GetPuzzleID %%> assert %%> print %% Puzzle ID:1 %%> StartOver %%> AreConditionsMet %%> assert %%> GetEnergyScore %%> assert %%> GetExplorationMultiplier %%> assert %%> GetScore %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergyScore %%> CompareNumbers %%> assert %%> Restore %%> DeselectAll %%> SelectRange %%> print %% 16 %%> GetSegmentEnergyScore %%> print %% 23.451665786114 %%> RebuildSelected %%> Save %%> GetRandomSeed %%> assert %%> print %% --- %%> SectionStart %% <Section name="TestSection1"> %%> WiggleAll Looking for handler for tool viewport Found this EventHandler: 0x7fbcd0cc1400 ****************************** * Starting: script_check_lws.lua ****************************** %%> SetClashImportance %%> GetCount %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> GetSecondaryStructure %%> SaveSecondaryStructure %%> SelectAll %%> SetSecondaryStructureSelected %%> UnfreezeAll %%> DeselectAll %%> Restore %%> GetScore %%> GetCount %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> GetSegmentEnergySubscore %%> p %% 2 segments left to do. %%> GetCount %%> p %% Wigglin segment 64 %%> DeselectAll %%> UnfreezeAll %%> GetScore %%> GetCount %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> Select %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> Restore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Yellow Belt Test (Mastery II). Id: 1021. Start score: 6318.71. Difference between energies: -3.18016e-06 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> ReportStatus %% <SectionStatus name="TestSection1" sectionLevel="1" currentScore="7880.1545203357946" sectionStartScore="7594.2849680634317" sectionImprovement="285.86955227236285" scriptStartScore="7594.2849680634317" scriptImprovement="285.86955227236285 /> %%> SectionStart %% <Section name="TestSection2"> %%> WiggleAll %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> ReportStatus %% <SectionStatus name="TestSection2" sectionLevel="2" currentScore="7880.2231466378962" sectionStartScore="7880.1545203357946" sectionImprovement="0.06862630210162024" scriptStartScore="7594.2849680634317" scriptImprovement="285.93817857446447 /> %%> SectionEnd %% </Section name="TestSection2"> %%> ReportStatus %% <SectionStatus name="TestSection1" sectionLevel="1" currentScore="7880.2231466378962" sectionStartScore="7594.2849680634317" sectionImprovement="285.93817857446447" scriptStartScore="7594.2849680634317" scriptImprovement="285.93817857446447 /> %%> SectionEnd %% </Section name="TestSection1"> %%> print %% --- %%> SectionStart %% <Section name="TestSection1"> %%> SectionStart %% <Section name="TestSection2"> %%> SectionEnd %% </Section name="TestSection2"> %%> SectionEnd %% </Section name="TestSection1"> %%> print %% --- %%> SectionStart %% <Section name="TestSection1"> %%> SectionStart %% <Section name="TestSection2"> %%> SectionEnd %% </Section name="TestSection2"> %%> SectionEnd %% </Section name="TestSection1"> %%> GetCount %%> assert %%> SetRotamer %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Tear It Apart. Id: 1022. Start score: 9486.95. Difference between energies: -2.56214e-06 %%> SaveSecondaryStructure %%> LoadSecondaryStructure %%> Quicksave selecting puzzle 2 Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db62cb30 Trying to click on SLWrapper puzzle 2 widget Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db62cb30 Clicked on SLWrapper puzzle 2 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 %%> Quickload %%> Quicksave %%> Quickload %%> SaveSecondaryStructure %%> LoadSecondaryStructure %%> GetGroupRank %%> assert %%> print %% Group rank:0 %%> GetGroupScore %%> print %% Group score:9999.99 %%> GetRank %%> assert %%> print %% Solo Rank:0 %%> GetRank %%> print %% Solo Rank:0 %%> GetRank %%> print %% Evolver Rank:0 %%> GetRank %%> print %% AllHands Rank:0 %%> GetRank %%> print %% NoScore Rank:0 %%> GetScoreType %%> print %% Score Type: 0 %%> GetScore %%> assert %%> print %% Solo Score:9999.99 %%> GetScore %%> print %% Solo Score:9999.99 %%> GetScore %%> print %% Evolver Score:9999.99 %%> GetScore %%> print %% AllHands Score:9999.99 %%> GetScore %%> print %% NoScore Score:9999.99 %%> SelectAll %%> Deselect %%> IsSelected %%> assert %%> SelectAll %%> DeselectAll %%> IsSelected %%> assert %%> SelectAll %%> GetCount %%> GetCount %%> assert %%> DeselectAll %%> DeselectAll %%> Select %%> IsSelected %%> assert %%> DeselectAll %%> DeselectAll %%> Select %%> IsSelected %%> assert %%> DeselectAll %%> SelectAll %%> GetCount %%> GetCount %%> assert %%> DeselectAll %%> DeselectAll %%> SelectRange %%> GetCount %%> assert %%> GetAminoAcid %%> len %%> assert %%> SelectAll %%> GetCount %%> GetCount %%> assert %%> DeselectAll %%> GetDistance %%> assert %%> SetNote %%> GetNote %%> assert %%> GetSecondaryStructure %%> len %%> assert %%> WiggleAll %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: The Surfing Hotdogs. Id: 1023. Start score: 0. Difference between energies: 4.27066e-05 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Fast Surfing. Id: 1024. Start score: 0. Difference between energies: 4.27066e-05 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> GetScore %%> p %% Segment gain: 0.32791092860862 %%> p %% 1 segments left to do. %%> GetCount %%> p %% Wigglin segment 15 %%> DeselectAll %%> UnfreezeAll %%> GetScore %%> GetCount %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> Select %%> GetScore %%> LocalWiggleSelected Clicked on puzzle panel play button successfully! SCORES: -104.06710870461427021, -104.06710870461427021/-104.06710870461427021 %%> GetScore %%> Restore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Hotdogs Wild!. Id: 1025. Start score: 0. Difference between energies: 0.00219242 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Fast n' Wild Dogs. Id: 1026. Start score: 0. Difference between energies: 0.00219242 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> DeselectAll %%> SelectRange %%> print %% 31 %%> GetSegmentEnergyScore %%> print %% -102.91284678768 %%> RebuildSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: Fast and Tearable. Id: 1027. Start score: 9486.95. Difference between energies: -2.56214e-06 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> GetScore %%> LocalWiggleSelected Puzzle: It All Comes Together. Id: 1028. Start score: 0. Difference between energies: 0.000657858 %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> Select %%> Select %%> FreezeSelected %%> DeselectAll %%> SelectRange %%> SelectRange %%> GetScore %%> LocalWiggleSelected %%> GetScore %%> DeselectAll %%> UnfreezeAll %%> GetScore %%> p %% Segment gain: 0.25843539873404 %%> GetScore %%> p %% Total gain: 0.58634632734265 pts %%> LoadSecondaryStructure Puzzle: A Quick Repair. Id: 1029. Start score: 0. Difference between energies: 3.32682e-06 %%> GetPlatform %%> GetScore %%> print %% comparing expected 7594.871266511 to actual 7594.8713143908 ****************************** * Finished: script_check_lws.lua ****************************** %%> DeselectAll %%> SelectRange %%> print %% 46 %%> GetSegmentEnergyScore %%> print %% -2.6255201509738 %%> RebuildSelected selecting puzzle 3 Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x55f1db7811b0 Trying to click on SLWrapper puzzle 3 widget Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x55f1db7811b0 Clicked on SLWrapper puzzle 3 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 Puzzle: Two Dogs With the Works. Id: 1030. Start score: 0. Difference between energies: 4.36401e-05 Completed Game Application Test tear-down. %%> DeselectAll %%> SelectRange %%> print %% 61 %%> GetSegmentEnergyScore %%> print %% -3.1551364525029 %%> RebuildSelected Puzzle: Surfboard Repair. Id: 1031. Start score: 0. Difference between energies: 3.97093e-05 Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Rosetta thread index was requested, but this is neither a thread that Rosetta launched, nor the thread from which Rosetta launched threads! This can happen if external code (e.g. PyRosetta) has already launched threads. Puzzle: A Quick Repair (Hard). Id: 1032. Start score: 0. Difference between energies: -3.82354e-05 Puzzle: Surfboard Repair (Hard). Id: 1033. Start score: 0. Difference between energies: 0.00132313 Clicked on puzzle panel play button successfully! Trying to click on message dialog close button Looking for handler for message dialog close button Found this EventHandler: 0x55f1dbd779e0 Clicked on message dialog close button successfully! SCORES: 544.75751274536810342, 544.75751274536810342/544.75751274536810342 %%> SelectAll %%> ShakeSidechainsSelected Puzzle: A Quick Repair (Extreme). Id: 1034. Start score: 0. Difference between energies: 0.000354655 Puzzle: Cut It Out!. Id: 1035. Start score: 0. Difference between energies: 0.0329779 selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db67b310 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db67b310 Puzzle: The Big Dog. Id: 1036. Start score: 0. Difference between energies: 1.15182e-05 %%> GetScore %%> StartOver Puzzle: Ideal Dogs. Id: 1037. Start score: 0. Difference between energies: 1.51346e-05 %%> WiggleAll Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. SCORES: 14.566560908602482982, 14.566560908602482982/14.566560908602482982 Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7fecc8c947d0 Clicked on question dialog yes button successfully! selecting puzzle 2 Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db7811b0 Trying to click on SLWrapper puzzle 2 widget Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db7811b0 Clicked on SLWrapper puzzle 2 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 %%> WiggleAll Puzzle: A Secondary Concern. Id: 1038. Start score: 0. Difference between energies: 1.51346e-05 Puzzle: Terrible Dogs (Hard). Id: 1039. Start score: 0. Difference between energies: -3.05219e-06 Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! Trying to click on restore recent best button Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Clicked on restore recent best button successfully! Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! Trying to click on restore absolute best button Looking for handler for restore absolute best button Found this EventHandler: 0x7ff305077700 Clicked on restore absolute best button successfully! Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! Trying to click on reset recent best button Looking for handler for reset recent best button Found this EventHandler: 0x7ff304f3bf70 Clicked on reset recent best button successfully! Clicked on puzzle panel play button successfully! SCORES: -107.98481945611194988, -107.98481945611194988/-107.98481945611194988 Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7fecc8c947d0 Clicked on question dialog yes button successfully! selecting puzzle 3 Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x55f1db67b310 Trying to click on SLWrapper puzzle 3 widget Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x55f1db67b310 Clicked on SLWrapper puzzle 3 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 Puzzle: Terrible Dogs (Extreme). Id: 1040. Start score: 0. Difference between energies: -4.49372e-06 Puzzle: The Latest Issue. Id: 1041. Start score: 0. Difference between energies: 4.57305e-05 Puzzle: Orange Glue. Id: 1042. Start score: 4473.14. Difference between energies: 8.45027e-07 Clicked on puzzle panel play button successfully! Trying to click on message dialog close button Looking for handler for message dialog close button Found this EventHandler: 0x55f1dfb07d50 Clicked on message dialog close button successfully! SCORES: 105.95892905693750663, 105.95892905693750663/105.95892905693750663 Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7fecc8c947d0 Clicked on question dialog yes button successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db67ada0 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x55f1db67ada0 Puzzle: Sheets' Broke. Id: 1043. Start score: 10204.2. Difference between energies: 5.04176e-07 Puzzle: Sheets' Broke (Hard). Id: 1044. Start score: 0. Difference between energies: -3.53174e-05 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. SCORES: 14.566560908602482982, 40.571503193656795361/14.566560908602482982 selecting puzzle 2 Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db67b310 Trying to click on SLWrapper puzzle 2 widget Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x55f1db67b310 Clicked on SLWrapper puzzle 2 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 Puzzle: Rotten Core. Id: 1045. Start score: 0. Difference between energies: -1.36399e-05 Puzzle: Long Dog. Id: 1046. Start score: 8208.38. Difference between energies: 2.41477e-08 %%> WiggleAll %%> WiggleAll %%> DeselectAll %%> SelectRange %%> WiggleSelected Puzzle: Sad Dog. Id: 1047. Start score: 8335.02. Difference between energies: -2.57318e-07 %%> WiggleSelected Clicked on puzzle panel play button successfully! SCORES: -107.98481945611194988, -104.06710870461427021/-107.98481945611194988 selecting puzzle 3 Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x7fecac90c570 Trying to click on SLWrapper puzzle 3 widget Looking for handler for SLWrapper puzzle 3 widget Found this EventHandler: 0x7fecac90c570 Clicked on SLWrapper puzzle 3 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7fecc8b8ce50 %%> WiggleSelected %%> DeselectAll %%> IsHydrophobic %%> assert %%> print %% Segment 1 IsHydrophobic: true %%> IsMutable %%> assert %%> MutateSidechainsAll Puzzle: Twisted Dog. Id: 1048. Start score: 0. Difference between energies: 0.00446483 Puzzle: Ring Dog. Id: 1049. Start score: 0. Difference between energies: -2.79257e-05 Clicked on puzzle panel play button successfully! Trying to click on message dialog close button Looking for handler for message dialog close button Found this EventHandler: 0x55f1dff10b20 Clicked on message dialog close button successfully! SCORES: 105.95892905693750663, 544.75751274536810342/105.95892905693750663 Puzzle: Dojo 15. Id: 1050. Start score: 0. Difference between energies: 0.000247158 Puzzle: Dojo 16. Id: 1051. Start score: 0. Difference between energies: -0.000226649 Completed Game Application Test tear-down. Puzzle: Dojo 17. Id: 1052. Start score: 0. Difference between energies: 0.000247158 %%> GetScore %%> print %% comparing after score 6557.5513621912 to starting score 7594.2849680634 ****************************** * Finished: script_check_rebuild.lua ****************************** Puzzle: Sheet Sandwich. Id: 1053. Start score: 0. Difference between energies: -2.80104e-06 %%> DeselectAll %%> SelectRange %%> RebuildSelected Completed Game Application Test tear-down. Puzzle: Sheet Sandwich (Hard). Id: 1054. Start score: 0. Difference between energies: -0.00490151 %%> DeselectAll %%> SetAminoAcid %%> SelectAll %%> SetAminoAcidSelected %%> SetNote %%> GetNote %%> assert %%> SetSecondaryStructure %%> GetSecondaryStructure %%> assert %%> SelectAll %%> SetSecondaryStructureSelected %%> GetCount %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> GetSecondaryStructure %%> assert %%> StartOver %%> ShakeSidechainsAll Puzzle: Sheet Sandwich (Extreme). Id: 1055. Start score: 0. Difference between energies: -2.51714e-05 Puzzle: Hugging Hotdogs. Id: 1056. Start score: 0. Difference between energies: 0.000157012 Puzzle: Curly Fries. Id: 1057. Start score: 0. Difference between energies: 0.00133384 Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! Trying to click on restore recent best button Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Clicked on restore recent best button successfully! Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! Trying to click on restore absolute best button Looking for handler for restore absolute best button Found this EventHandler: 0x7ff305077700 Clicked on restore absolute best button successfully! Trying to click on undo button Looking for handler for undo button Found this EventHandler: 0x7ff304f1d880 Clicked on undo button successfully! Trying to click on undo button Looking for handler for undo button Found this EventHandler: 0x7ff304f1d880 Clicked on undo button successfully! Trying to click on reset recent best button Looking for handler for reset recent best button Found this EventHandler: 0x7ff304f3bf70 Clicked on reset recent best button successfully! Trying to click on restore recent best button Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Clicked on restore recent best button successfully! Attempting to reset puzzle Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x7ff304c947d0 Clicked on question dialog yes button successfully! selecting puzzle 2 Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x5649c1bf4230 Trying to click on SLWrapper puzzle 2 widget Looking for handler for SLWrapper puzzle 2 widget Found this EventHandler: 0x5649c1bf4230 Clicked on SLWrapper puzzle 2 widget successfully! Trying to click on puzzle panel play button Looking for handler for puzzle panel play button Found this EventHandler: 0x7ff304b8ce50 Puzzle: Cameras 101. Id: 1058. Start score: 0. Difference between energies: 6.0129e-07 %%> AlignGuide %%> AlignGuide %%> CenterViewport %%> CenterViewport %%> GetTrackName %%> print %% Track name:default %%> GetGroupID %%> assert %%> print %% Group ID:0 %%> GetGroupName %%> len %%> assert %%> print %% Group Name: %%> GetPlayerID %%> assert %%> print %% Player ID: 0 %%> GetPlayerName %%> len %%> assert %%> print %% Player name: %%> print %% *** Completed Successfully *** ****************************** * Finished: script_general.lua ****************************** Completed Game Application Test tear-down. Puzzle: Beta Barrels. Id: 1059. Start score: 6046.2. Difference between energies: 3.26989e-06 Clicked on puzzle panel play button successfully! Trying to click on Undo Panel Button Looking for handler for Undo Panel Button Found this EventHandler: 0x7ff304c51dd0 Clicked on Undo Panel Button successfully! Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Trying to click on restore recent best button Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Clicked on restore recent best button successfully! Trying to click on restore absolute best button Looking for handler for restore absolute best button Found this EventHandler: 0x7ff305077700 Clicked on restore absolute best button successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5649c1dd3e80 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5649c1dd3e80 Puzzle: Beta Barrels 2. Id: 1060. Start score: 2229.56. Difference between energies: 2.54933e-07 Puzzle: Beta Barrels 3. Id: 1061. Start score: 2216.08. Difference between energies: -1.06896e-06 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Trying to click on Undo Panel Button Looking for handler for Undo Panel Button Found this EventHandler: 0x7ff304c51dd0 Clicked on Undo Panel Button successfully! Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Trying to click on restore recent best button Looking for handler for restore recent best button Found this EventHandler: 0x7ff30507e290 Clicked on restore recent best button successfully! Trying to click on restore absolute best button Looking for handler for restore absolute best button Found this EventHandler: 0x7ff305077700 Clicked on restore absolute best button successfully! Puzzle: It Could Be Better. Id: 1062. Start score: 7883.1. Difference between energies: -7.15502e-07 Completed Game Application Test tear-down. Puzzle: Long Sheets. Id: 1063. Start score: 0. Difference between energies: -2.10746e-05 %%> GetScore %%> print %% strt 7594.2849680634 %%> print %% wgl1 8998.0464847665 %%> print %% wgl2 9001.3403699679 %%> assert %%> assert ****************************** * Finished: script_scoring.lua ****************************** Puzzle: Return of the Lock and Lower. Id: 1064. Start score: 2185.82. Difference between energies: 1.55667e-06 Looking for handler for play offline Found this EventHandler: 0x7efdbd075000 Clicked on play offline successfully! Trying to click on question dialog yes button Looking for handler for question dialog yes button Found this EventHandler: 0x5577b75d82a0 Clicked on question dialog yes button successfully! Trying to click on legal accept check Looking for handler for legal accept check Found this EventHandler: 0x7efdbe962b20 Clicked on legal accept check successfully! Trying to click on legal confirm button Looking for handler for legal confirm button Found this EventHandler: 0x7efdbd425b80 Clicked on legal confirm button successfully! Trying to click on Roles Modal Button Looking for handler for Roles Modal Button Found this EventHandler: 0x5577b7769e20 Clicked on Roles Modal Button successfully! Trying to click on Science Puzzles MenuChoicePanel Looking for handler for Science Puzzles MenuChoicePanel Found this EventHandler: 0x5577b77bcf60 Clicked on Science Puzzles MenuChoicePanel successfully! selecting puzzle 1 Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5577b77b6d20 Trying to click on SLWrapper puzzle 1 widget Looking for handler for SLWrapper puzzle 1 widget Found this EventHandler: 0x5577b77b6d20 Clicked on SLWrapper puzzle 1 widget successfully! Trying to click on puzzle panel play button Looked for puzzle panel play button to click, but none found. Puzzle: A Small Fold. Id: 1065. Start score: 0. Difference between energies: 4.47211e-05 Completed Game Application Test tear-down. Puzzle: Hugging Helices. Id: 1066. Start score: 3061.96. Difference between energies: 1.72459e-06 Puzzle: Wiggling Worms. Id: 1067. Start score: 5896.9. Difference between energies: 2.6629e-06 Puzzle: Falling Apart. Id: 1068. Start score: 6104.31. Difference between energies: -3.57245e-06 Puzzle: Stitching Cuts. Id: 1069. Start score: 0. Difference between energies: 0.00452996 Puzzle: Stitching Cuts (Hard). Id: 1070. Start score: 0. Difference between energies: -0.0410857 Puzzle: Stitching Cuts Reversed. Id: 1071. Start score: 8228.14. Difference between energies: 4.3688e-07 Looking for handler for tool viewport Found this EventHandler: 0x7efdbccc1400 ****************************** * Starting: script_check_blue_fuse.lua ****************************** %%> Save %%> GetScore %%> SelectAll %%> SetClashImportance %%> ShakeSidechainsSelected Puzzle: Stitching Cuts (Hard). Id: 1072. Start score: 8228.14. Difference between energies: 4.3688e-07 Puzzle: Fitted Sheets 1. Id: 1073. Start score: 7933.97. Difference between energies: 9.12056e-08 Puzzle: Fitted Sheets 2. Id: 1074. Start score: 7692.75. Difference between energies: -8.72262e-08 Puzzle: Fitted Sheets 3. Id: 1075. Start score: 0. Difference between energies: 1.11198e-05 Puzzle: Fitted Sheets 4. Id: 1076. Start score: 0. Difference between energies: 3.73399e-05 Puzzle: Fitted Sheets 5. Id: 1077. Start score: 0. Difference between energies: 2.49928e-05 Puzzle: Fitted Sheets 6. Id: 1078. Start score: 3948.01. Difference between energies: 2.54207e-08 %%> SetClashImportance %%> WiggleSelected Puzzle: Fitted Sheets 7. Id: 1079. Start score: 0. Difference between energies: -3.40765e-05 Puzzle: Fitted Sheets 8. Id: 1080. Start score: 4428.66. Difference between energies: 3.56116e-06 Puzzle: Fitted Sheets 9. Id: 1081. Start score: 2373.83. Difference between energies: -1.2093e-06 Puzzle: Bundle of Pain. Id: 1082. Start score: 0. Difference between energies: -3.10337e-05 Puzzle: Bundle of Joy. Id: 1083. Start score: 0. Difference between energies: 3.01231e-05 Puzzle: Bundle of Hay. Id: 1084. Start score: 7317.32. Difference between energies: 1.0498e-06 Puzzle: Bundle of Tears. Id: 1085. Start score: 7998.62. Difference between energies: -3.51741e-07 Puzzle: Broken Bundle. Id: 1086. Start score: 0. Difference between energies: 3.21771e-05 Puzzle: Bundle of Flowers. Id: 1087. Start score: 0. Difference between energies: -7.36865e-06 Puzzle: Loose Bundle. Id: 1088. Start score: 4928.75. Difference between energies: -1.61938e-07 Puzzle: Science Puzzle 1. Id: 9000. Start score: 7737.31. Difference between energies: -3.64775e-06 Puzzle: Science Puzzle 2. Id: 9001. Start score: 4857.81. Difference between energies: -2.41085e-06 Puzzle: Science Puzzle 3. Id: 9002. Start score: 7737.81. Difference between energies: -5.41908e-06 Puzzle: Science Puzzle 4. Id: 9003. Start score: 6197.74. Difference between energies: -1.0341e-05 Puzzle: Science Puzzle 5. Id: 9004. Start score: 2941.91. Difference between energies: -7.85047e-06 %%> SetClashImportance %%> ShakeSidechainsSelected Puzzle: Science Puzzle 6. Id: 9005. Start score: 5091.18. Difference between energies: 1.36985e-06 Puzzle: Science Puzzle 7. Id: 9006. Start score: 1431.67. Difference between energies: -5.58722e-06 Puzzle: Science Puzzle 8. Id: 9007. Start score: 0. Difference between energies: -3.58653e-05 Puzzle: Intro to Foldit. Id: 10001. Start score: 4095.52. Difference between energies: 1.89795e-06 Puzzle: Swing It Around. Id: 10002. Start score: 0. Difference between energies: -4.22896e-05 Puzzle: Hide the Hydrophobic. Id: 10003. Start score: 4324.21. Difference between energies: -3.01602e-06 Puzzle: Intro to Design. Id: 10004. Start score: 2126.87. Difference between energies: 7.74596e-08 %%> SetClashImportance %%> WiggleSelected Puzzle: Hydrogen Bonds. Id: 10005. Start score: 3010.3. Difference between energies: -3.57947e-06 Puzzle: Swappin' Sidechains. Id: 10006. Start score: 8786.77. Difference between energies: -3.74794e-06 Puzzle: Disulfide Bonds. Id: 10007. Start score: 4145.18. Difference between energies: 5.71222e-07 Puzzle: Primary Structure. Id: 10008. Start score: 6123.74. Difference between energies: -3.09483e-07 Puzzle: Shake!. Id: 10009. Start score: 0. Difference between energies: 2.40946e-05 Puzzle: Wiggle!. Id: 10010. Start score: 7717.91. Difference between energies: 4.92406e-07 Puzzle: Alpha Helix. Id: 10011. Start score: 3717.92. Difference between energies: -6.70306e-06 Puzzle: Sheets Together. Id: 10012. Start score: 0. Difference between energies: 4.91792e-05 Puzzle: Lonely Sheets. Id: 10013. Start score: 3426.73. Difference between energies: -4.72101e-06 Puzzle: Sheets and Ladders. Id: 10014. Start score: 7168.21. Difference between energies: 6.33214e-07 Puzzle: Lock and Lower. Id: 10015. Start score: 5630.66. Difference between energies: -9.80966e-07 Puzzle: Idealizing Structure Angles. Id: 10016. Start score: 7105.35. Difference between energies: 1.93583e-07 Puzzle: Sequence Preference. Id: 10017. Start score: 3228.57. Difference between energies: -3.16092e-06 Puzzle: Backbones Collide. Id: 10018. Start score: 4807.84. Difference between energies: 2.5184e-06 Puzzle: Basic Threading. Id: 10020. Start score: 4307.36. Difference between energies: 4.01021e-06 Puzzle: Alignin' Sequences. Id: 10021. Start score: 0. Difference between energies: 0.02284 Puzzle: Quest to the Native. Id: 10022. Start score: 5758.55. Difference between energies: -3.24252e-06 Puzzle: Tertiary Structure. Id: 10023. Start score: 0. Difference between energies: -1.48111e-06 Puzzle: Hydrophobic Disaster. Id: 10024. Start score: 3191.07. Difference between energies: 4.07666e-06 WARN: DSSPToGuideFilter is filtering 90 out of 55 residues WARN: DSSPToGuideFilter is filtering 90 out of 55 residues Puzzle: Folding Pathway I. Id: 10025. Start score: 0. Difference between energies: 2.03947e-05 %%> Restore %%> SetClashImportance %%> WiggleSelected Puzzle: Folding Pathway II. Id: 10026. Start score: 897.303. Difference between energies: 8.92137e-07 Puzzle: DNA and Protein. Id: 10027. Start score: 25705.2. Difference between energies: -4.33174e-05 Puzzle: Band Together. Id: 10028. Start score: 6901.7. Difference between energies: -5.24817e-06 Puzzle: Movin' Along. Id: 10029. Start score: 6550.24. Difference between energies: 4.50613e-06 Puzzle: Cut and Move. Id: 10030. Start score: 0. Difference between energies: 0.000339918 Puzzle: Coronavirus. Id: 10031. Start score: 0. Difference between energies: -3.33656e-05 Puzzle: Collagen. Id: 10032. Start score: 3128.99. Difference between energies: 0.000327246 Puzzle: Insulin. Id: 10033. Start score: 6963.88. Difference between energies: 4.48254e-07 %%> SetClashImportance %%> WiggleSelected Puzzle: Ubiquitin. Id: 10034. Start score: 0. Difference between energies: 1.67094e-05 Puzzle: Fibrin. Id: 10035. Start score: 2711.72. Difference between energies: -7.02848e-06 Puzzle: Ebola. Id: 10036. Start score: 0. Difference between energies: -0.000115211 Puzzle: HIV Protease. Id: 10037. Start score: 5022.5. Difference between energies: 0.000198414 Puzzle: E. Coli. Id: 10038. Start score: 5351.34. Difference between energies: -0.000400786 Puzzle: Mason-Pfizer Monkey Virus. Id: 10039. Start score: 0. Difference between energies: -0.00308867 %%> Restore %%> GetScore %%> print %% comparing after score 9053.8882718157 to starting score 7594.2849680634 ****************************** * Finished: script_check_blue_fuse.lua ****************************** Puzzle: COVID-19 Spike Binder. Id: 10040. Start score: 6642.33. Difference between energies: -1.27078e-05 Results: Completed Game Application Test tear-down. -------- Unit test summary -------- Total number of test (suites): 674 number tests passed: 673 number tests failed: 1 failed tests: game:ServerTests Success rate: 99.85163204747775% ---------- End of Unit test summary Done!
Running game:ServerTests unit tests... Running 8 tests Test suite: ServerTests (../../source/test/game/application/novice/server/Server.cxxtest.hh) ***** TEST ServerTests test_login ***** basic.random.init_random_generator: {0} 'RNG device' seed mode, using '/dev/urandom', seed=951600939 seed_offset=0 real_seed=951600939 thread_index=0 basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=951600939 RG_type=mt19937 basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=1000 RG_type=mt19937 game.application.server.Server: {0} REQUEST: game.application.server.Server: {0} { "password" : "test_passwd1", "username" : "test_account1" } game.application.server.CurlFetcher: {0} https://fold.it/api/sign_in In ServerTests::test_login: ../../source/test/game/application/novice/server/Server.cxxtest.hh:86: Error: Test failed: Exception thrown from setUp() ../../source/test/game/application/novice/server/Server.cxxtest.hh:86: Error: Expected (suite()->setUp()) not to throw, but it did CXXTEST_ERROR: test_login Failed! ***** TEST ServerTests test_get_news ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_news: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_news Failed! ***** TEST ServerTests test_get_irc_server ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_irc_server: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_irc_server Failed! ***** TEST ServerTests test_get_puzzles ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_puzzles: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_puzzles Failed! ***** TEST ServerTests test_get_puzzle ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_get_puzzle: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_get_puzzle Failed! ***** TEST ServerTests test_post_gameplay_event ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_post_gameplay_event: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_post_gameplay_event Failed! ***** TEST ServerTests test_post_crash_report ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_post_crash_report: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_post_crash_report Failed! ***** TEST ServerTests test_recipe_library ***** ERROR: can not open game/locations.txt From directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login In ServerTests::test_recipe_library: ../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file) CXXTEST_ERROR: test_recipe_library Failed! Failed 8 of 8 tests Success rate: 0%
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"game:GameApplicationTests_legal": { "log": "", "state": "passed" }, "game:GameApplicationTests_login": { "log": "", "state": "passed" }, "game:GameApplicationTests_normal": { "log": "", "state": "passed" }, "game:GameApplicationTests_restore_best": { "log": "", "state": "passed" }, "game:GameApplicationTests_switch": { "log": "", "state": "passed" }, "game:IntroPuzzleJsonDataLoadTests": { "log": "", "state": "passed" }, "game:LevelRecorderTests": { "log": "", "state": "passed" }, "game:LocalVersionTests": { "log": "", "state": "passed" }, "game:NotificationTests": { "log": "", "state": "passed" }, "game:PuzzleTests": { "log": "", "state": "passed" }, "game:ScoreVersionTests": { "log": "", "state": "passed" }, "game:ServerTests": { "log": "Running game:ServerTests unit tests...\nRunning 8 tests\nTest suite: ServerTests (../../source/test/game/application/novice/server/Server.cxxtest.hh)\n\n\n\n***** TEST ServerTests test_login *****\n\n\n\nbasic.random.init_random_generator: {0} 'RNG 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/home/benchmark/rosetta/source/cmake_3/test_area/working_test_login\nIn ServerTests::test_get_news:\n../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file)\nCXXTEST_ERROR: test_get_news Failed!\n\n\n\n***** TEST ServerTests test_get_irc_server *****\n\n\n\nERROR: can not open game/locations.txt\nFrom directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login\nIn ServerTests::test_get_irc_server:\n../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file)\nCXXTEST_ERROR: test_get_irc_server Failed!\n\n\n\n***** TEST ServerTests test_get_puzzles *****\n\n\n\nERROR: can not open game/locations.txt\nFrom directory /home/benchmark/rosetta/source/cmake_3/test_area/working_test_login\nIn ServerTests::test_get_puzzles:\n../../test/interactive/util.hh:93: Error: Assertion failed: bool(dict_file)\nCXXTEST_ERROR: test_get_puzzles Failed!\n\n\n\n***** TEST ServerTests test_get_puzzle *****\n\n\n\nERROR: can not open game/locations.txt\nFrom 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