{
"summary": {
"failed": 1,
"failed_tests": [
"Protein-Protein-Docking"
],
"total": 22
},
"tests": {
"Constraints_Tutorial": {
"log": "",
"state": "passed"
},
"GeneralizedKIC": {
"log": "",
"state": "passed"
},
"Protein-Protein-Docking": {
"log": "\n\nLogFile log1\ncore.init: Checking for fconfig files in pwd and ./rosetta/flags \ncore.init: command: ROSETTA/source/bin/docking_protocol.default.linuxclangrelease @flag_local_docking -database ROSETTA/database -run:constant_seed -nodelay\nbasic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\nbasic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.etable: Starting energy table calculation\ncore.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\ncore.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\ncore.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\ncore.scoring.etable: Finished calculating energy tables.\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\ncore.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\nprotocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\nprotocols.jd2.PDBJobInputter: pushed input_files/col_complex.pdb nstruct index 1\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nprotocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \nprotocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job\nprotocols.jd2.PDBJobInputter: filling pose from PDB input_files/col_complex.pdb\ncore.import_pose.import_pose: File 'input_files/col_complex.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingProtocol: Setting docking foldtree\nprotocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 \nprotocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingProtocol: /// Rosetta 3 Docking Protocol ///\nprotocols.docking.DockingProtocol: /// ///\nprotocols.docking.DockingProtocol: /// Dockable Jumps: 1 ///\nprotocols.docking.DockingProtocol: /// Low Resolution Docking Protocol: on ///\nprotocols.docking.DockingProtocol: /// High Resolution Docking Protocol: on ///\nprotocols.docking.DockingProtocol: /// Low Resolution Filter: on ///\nprotocols.docking.DockingProtocol: /// High Resolution Filter: on ///\nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\ncore.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 69 residue types\nprotocols.docking.DockingProtocol: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nprotocols.docking.DockingInitialPerturbation: dock_pert: true\nprotocols.docking.DockingInitialPerturbation: option[ docking::dock_pert ]()8 3\nprotocols.docking.DockingInitialPerturbation: sliding into contact for centroid mode\nprotocols.docking.DockingInitialPerturbation: sliding into contact\nprotocols.docking.DockingInitialPerturbation: Moving away\nprotocols.docking.DockingInitialPerturbation: Moving together\nprotocols.docking.DockingProtocol: finished initial perturbation\nprotocols.docking.DockingLowRes: in DockingLowRes.apply\nprotocols.docking.DockingLowRes: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingLowRes: /// Docking Low Res Protocol ///\nprotocols.docking.DockingLowRes: /// ///\nprotocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 ///\nprotocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 ///\nprotocols.docking.DockingLowRes: /// Scorefunction: ///\nprotocols.docking.DockingLowRes: ScoreFunction::show():\nweights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockingLowRes: HbondOptions::show: mphbond: false\nprotocols.docking.DockingLowRes: \nprotocols.docking.DockingLowRes: \nprotocols.docking.DockingLowRes: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive:::::::::::::::::::\nprotocols.docking.DockingLowRes: Translation magnitude: 0.7\nprotocols.docking.DockingLowRes: Rotation magnitude: 5\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.1\nprotocols.docking.DockingLowRes: Translation magnitude: 0.63\nprotocols.docking.DockingLowRes: Rotation magnitude: 4.5\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.567\nprotocols.docking.DockingLowRes: Rotation magnitude: 4.05\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.04\nprotocols.docking.DockingLowRes: Translation magnitude: 0.5103\nprotocols.docking.DockingLowRes: Rotation magnitude: 3.645\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.45927\nprotocols.docking.DockingLowRes: Rotation magnitude: 3.2805\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.413343\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.95245\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.372009\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.65721\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.334808\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.39148\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.06\nprotocols.docking.DockingLowRes: Translation magnitude: 0.301327\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.15234\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.02\nprotocols.docking.DockingLowRes: Translation magnitude: 0.271194\nprotocols.docking.DockingLowRes: Rotation magnitude: 1.9371\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.02\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_missing_sidechains: packing residue number 1 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 2 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 3 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 4 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 5 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 6 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 7 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 9 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 10 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 11 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 12 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 13 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 14 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 15 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 16 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 17 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 18 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 19 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 20 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 21 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 22 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 24 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 25 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 27 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 28 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 29 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 30 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 31 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 32 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 33 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 34 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 35 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 36 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 37 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 38 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 39 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 40 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 41 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 42 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 43 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 44 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 45 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 46 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 47 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 48 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 49 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 50 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 51 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 52 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 53 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 54 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 55 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 56 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 58 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 59 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 60 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 61 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 62 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 63 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 65 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 66 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 67 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 68 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 69 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 70 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 71 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 72 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 73 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 74 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 75 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 76 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 77 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 78 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 79 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 80 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 81 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 82 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 84 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 85 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 86 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 87 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 89 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 90 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 91 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 92 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 93 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 94 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 95 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 96 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 97 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 99 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 100 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 101 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 102 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 103 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 104 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 106 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 107 because of missing atom number 6 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 108 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 109 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 110 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 111 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 112 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 113 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 114 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 115 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 116 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 117 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 118 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 119 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 120 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 121 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 122 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 123 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 124 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 125 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 126 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 127 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 128 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 129 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 130 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 131 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 132 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 133 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 134 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 135 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 136 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 137 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 138 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 139 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 140 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 141 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 142 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 144 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 145 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 146 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 147 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 148 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 149 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 150 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 151 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 152 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 153 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 154 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 156 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 157 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 158 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 159 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 160 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 161 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 162 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 163 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 164 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 165 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 166 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 167 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 168 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 169 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 170 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 171 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 172 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 173 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 174 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 175 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 176 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 177 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 178 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 179 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 181 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 182 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 183 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 184 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 185 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 186 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 187 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 188 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 189 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 190 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 191 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 192 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 193 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 194 because of missing atom number 6 atom name CB \nbasic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\ncore.scoring.elec.util: Read 40 countpair representative atoms\ncore.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\ncore.pack.pack_rotamers: built 4603 rotamers at 182 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.docking.DockingProtocol: Score before repack:\nprotocols.docking.DockingProtocol: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1183.736 -1183.736\n fa_rep 0.550 9951.424 5473.283\n fa_sol 1.000 821.000 821.000\n fa_intra_rep 0.005 426.252 2.131\n fa_intra_sol_xover4 1.000 42.056 42.056\n lk_ball_wtd 1.000 -20.998 -20.998\n fa_elec 1.000 -339.802 -339.802\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -36.282 -36.282\n hbond_sc 1.000 -20.830 -20.830\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 326.577 228.604\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: 4824.509\ncore.pack.pack_rotamers: built 2427 rotamers at 194 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.docking.DockingProtocol: Score after repack:\nprotocols.docking.DockingProtocol: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1160.025 -1160.025\n fa_rep 0.550 1324.605 728.533\n fa_sol 1.000 798.806 798.806\n fa_intra_rep 0.005 437.911 2.190\n fa_intra_sol_xover4 1.000 45.840 45.840\n lk_ball_wtd 1.000 -27.064 -27.064\n fa_elec 1.000 -348.432 -348.432\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -32.977 -32.977\n hbond_sc 1.000 -18.537 -18.537\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 350.997 245.698\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.264 0.165\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: 93.106\nprotocols.docking.DockMCMProtocol: in DockMCMProtocol.apply\nprotocols.docking.DockMCMProtocol: Using the DockingTaskFactory.\ncore.pack.rotamer_set.UnboundRotamersOperation: Adding 'unbound' rotamers from input_files/col_complex.pdb\nprotocols.docking.DockMCMCycle: Setting up defaults for DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockMCMCycle: /// Dockable Jumps: 1 ///\nprotocols.docking.DockMCMCycle: /// Translation: 0.1 ///\nprotocols.docking.DockMCMCycle: /// Rotation: 5 ///\nprotocols.docking.DockMCMCycle: /// Scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: /// Packing scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1167 rotamers at 52 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 986 rotamers at 33 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 961 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 961 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 961 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 961 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1084.743 -1084.743\n fa_rep 0.550 218.787 120.333\n fa_sol 1.000 733.933 733.933\n fa_intra_rep 0.005 439.581 2.198\n fa_intra_sol_xover4 1.000 43.995 43.995\n lk_ball_wtd 1.000 -25.910 -25.910\n fa_elec 1.000 -332.417 -332.417\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -32.999 -32.999\n hbond_sc 1.000 -19.024 -19.024\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 346.576 242.603\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.264 0.165\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -492.957\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1132.104 -1132.104\n fa_rep 0.550 228.229 125.526\n fa_sol 1.000 770.756 770.756\n fa_intra_rep 0.005 439.581 2.198\n fa_intra_sol_xover4 1.000 43.995 43.995\n lk_ball_wtd 1.000 -26.266 -26.266\n fa_elec 1.000 -359.652 -359.652\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -36.886 -36.886\n hbond_sc 1.000 -21.990 -21.990\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 346.576 242.603\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.264 0.165\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -532.745\nprotocols.docking.DockingProtocol.metrics: unbound energy: -492.957\nprotocols.docking.DockingProtocol.metrics: bound energy: -532.745\nprotocols.docking.DockingProtocol.metrics: interaction energy: -39.788\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1084.743 -1084.743\n fa_rep 0.550 218.787 120.333\n fa_sol 1.000 733.933 733.933\n fa_intra_rep 0.005 439.581 2.198\n fa_intra_sol_xover4 1.000 43.995 43.995\n lk_ball_wtd 1.000 -25.910 -25.910\n fa_elec 1.000 -332.417 -332.417\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -32.999 -32.999\n hbond_sc 1.000 -19.024 -19.024\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 346.576 242.603\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.264 0.165\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -492.957\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1132.104 -1132.104\n fa_rep 0.550 228.229 125.526\n fa_sol 1.000 770.756 770.756\n fa_intra_rep 0.005 439.581 2.198\n fa_intra_sol_xover4 1.000 43.995 43.995\n lk_ball_wtd 1.000 -26.266 -26.266\n fa_elec 1.000 -359.652 -359.652\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -36.886 -36.886\n hbond_sc 1.000 -21.990 -21.990\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 346.576 242.603\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.264 0.165\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -532.745\nprotocols.docking.DockingProtocol.metrics: unbound energy: -492.957\nprotocols.docking.DockingProtocol.metrics: bound energy: -532.745\nprotocols.docking.DockingProtocol.metrics: interaction energy: -39.788\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.jd2.JobDistributor: no more batches to process... \n\n\nLogFile log2\ncore.init: Checking for fconfig files in pwd and ./rosetta/flags \ncore.init: command: ROSETTA/source/bin/docking_protocol.default.linuxclangrelease @flag_local_refine -database ROSETTA/database -run:constant_seed -nodelay\nbasic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\nbasic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.etable: Starting energy table calculation\ncore.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\ncore.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\ncore.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\ncore.scoring.etable: Finished calculating energy tables.\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\ncore.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\nprotocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\nprotocols.jd2.PDBJobInputter: pushed input_files/1v74.pdb nstruct index 1\nprotocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \nprotocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job\nprotocols.jd2.PDBJobInputter: filling pose from PDB input_files/1v74.pdb\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingProtocol: Danger Will Robinson! Native is an impostor!\nprotocols.docking.DockingProtocol: Setting docking foldtree\nprotocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 \nprotocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingProtocol: /// Rosetta 3 Docking Protocol ///\nprotocols.docking.DockingProtocol: /// ///\nprotocols.docking.DockingProtocol: /// Dockable Jumps: 1 ///\nprotocols.docking.DockingProtocol: /// Low Resolution Docking Protocol: off ///\nprotocols.docking.DockingProtocol: /// High Resolution Docking Protocol: on ///\nprotocols.docking.DockingProtocol: /// Low Resolution Filter: off ///\nprotocols.docking.DockingProtocol: /// High Resolution Filter: on ///\nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockMCMProtocol: in DockMCMProtocol.apply\nbasic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\ncore.scoring.elec.util: Read 40 countpair representative atoms\ncore.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\nprotocols.docking.DockMCMProtocol: Using the DockingTaskFactory.\nprotocols.docking.DockMCMCycle: Setting up defaults for DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockMCMCycle: /// Dockable Jumps: 1 ///\nprotocols.docking.DockMCMCycle: /// Translation: 0.1 ///\nprotocols.docking.DockMCMCycle: /// Rotation: 5 ///\nprotocols.docking.DockMCMCycle: /// Scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: /// Packing scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 854 rotamers at 33 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 915 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 915 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 915 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 859 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 859 rotamers at 34 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1121.788 -1121.788\n fa_rep 0.550 360.673 198.370\n fa_sol 1.000 774.897 774.897\n fa_intra_rep 0.005 477.268 2.386\n fa_intra_sol_xover4 1.000 46.861 46.861\n lk_ball_wtd 1.000 -29.521 -29.521\n fa_elec 1.000 -297.103 -297.103\n pro_close 1.250 5.585 6.981\n hbond_sr_bb 1.000 -84.084 -84.084\n hbond_lr_bb 1.000 -22.814 -22.814\n hbond_bb_sc 1.000 -34.748 -34.748\n hbond_sc 1.000 -18.116 -18.116\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 -6.565 -2.626\n fa_dun 0.700 552.032 386.422\n p_aa_pp 0.600 -43.176 -25.906\n yhh_planarity 0.625 0.000 0.000\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -36.696 -16.513\n---------------------------------------------------\n Total weighted score: -220.077\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1176.685 -1176.685\n fa_rep 0.550 372.956 205.126\n fa_sol 1.000 824.420 824.420\n fa_intra_rep 0.005 477.268 2.386\n fa_intra_sol_xover4 1.000 46.861 46.861\n lk_ball_wtd 1.000 -29.876 -29.876\n fa_elec 1.000 -336.510 -336.510\n pro_close 1.250 5.585 6.981\n hbond_sr_bb 1.000 -84.084 -84.084\n hbond_lr_bb 1.000 -22.814 -22.814\n hbond_bb_sc 1.000 -40.201 -40.201\n hbond_sc 1.000 -23.784 -23.784\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 -6.565 -2.626\n fa_dun 0.700 552.032 386.422\n p_aa_pp 0.600 -43.176 -25.906\n yhh_planarity 0.625 0.000 0.000\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -36.696 -16.513\n---------------------------------------------------\n Total weighted score: -269.579\nprotocols.docking.DockingProtocol.metrics: unbound energy: -220.077\nprotocols.docking.DockingProtocol.metrics: bound energy: -269.579\nprotocols.docking.DockingProtocol.metrics: interaction energy: -49.502\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1121.788 -1121.788\n fa_rep 0.550 360.673 198.370\n fa_sol 1.000 774.897 774.897\n fa_intra_rep 0.005 477.268 2.386\n fa_intra_sol_xover4 1.000 46.861 46.861\n lk_ball_wtd 1.000 -29.521 -29.521\n fa_elec 1.000 -297.103 -297.103\n pro_close 1.250 5.585 6.981\n hbond_sr_bb 1.000 -84.084 -84.084\n hbond_lr_bb 1.000 -22.814 -22.814\n hbond_bb_sc 1.000 -34.748 -34.748\n hbond_sc 1.000 -18.116 -18.116\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 -6.565 -2.626\n fa_dun 0.700 552.032 386.422\n p_aa_pp 0.600 -43.176 -25.906\n yhh_planarity 0.625 0.000 0.000\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -36.696 -16.513\n---------------------------------------------------\n Total weighted score: -220.077\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1176.685 -1176.685\n fa_rep 0.550 372.956 205.126\n fa_sol 1.000 824.420 824.420\n fa_intra_rep 0.005 477.268 2.386\n fa_intra_sol_xover4 1.000 46.861 46.861\n lk_ball_wtd 1.000 -29.876 -29.876\n fa_elec 1.000 -336.510 -336.510\n pro_close 1.250 5.585 6.981\n hbond_sr_bb 1.000 -84.084 -84.084\n hbond_lr_bb 1.000 -22.814 -22.814\n hbond_bb_sc 1.000 -40.201 -40.201\n hbond_sc 1.000 -23.784 -23.784\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 -6.565 -2.626\n fa_dun 0.700 552.032 386.422\n p_aa_pp 0.600 -43.176 -25.906\n yhh_planarity 0.625 0.000 0.000\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -36.696 -16.513\n---------------------------------------------------\n Total weighted score: -269.579\nprotocols.docking.DockingProtocol.metrics: unbound energy: -220.077\nprotocols.docking.DockingProtocol.metrics: bound energy: -269.579\nprotocols.docking.DockingProtocol.metrics: interaction energy: -49.502\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.jd2.JobDistributor: no more batches to process... \n\n\nLogFile log3\ncore.init: Checking for fconfig files in pwd and ./rosetta/flags \ncore.init: command: ROSETTA/source/bin/docking_protocol.default.linuxclangrelease @flag_global_docking -database ROSETTA/database -run:constant_seed -nodelay\nbasic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\nbasic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.etable: Starting energy table calculation\ncore.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\ncore.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\ncore.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\ncore.scoring.etable: Finished calculating energy tables.\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\ncore.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\nprotocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\nprotocols.jd2.PDBJobInputter: pushed input_files/col_complex.pdb nstruct index 1\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nprotocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \nprotocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job\nprotocols.jd2.PDBJobInputter: filling pose from PDB input_files/col_complex.pdb\ncore.import_pose.import_pose: File 'input_files/col_complex.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingProtocol: Setting docking foldtree\nprotocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 \nprotocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingProtocol: /// Rosetta 3 Docking Protocol ///\nprotocols.docking.DockingProtocol: /// ///\nprotocols.docking.DockingProtocol: /// Dockable Jumps: 1 ///\nprotocols.docking.DockingProtocol: /// Low Resolution Docking Protocol: on ///\nprotocols.docking.DockingProtocol: /// High Resolution Docking Protocol: on ///\nprotocols.docking.DockingProtocol: /// Low Resolution Filter: on ///\nprotocols.docking.DockingProtocol: /// High Resolution Filter: on ///\nprotocols.docking.DockingProtocol: ////////////////////////////////////////////////////////////////////////////////\ncore.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 69 residue types\nprotocols.docking.DockingProtocol: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nprotocols.docking.DockingInitialPerturbation: randomize1: true\nprotocols.moves.RigidBodyMover: Randomize: Jump (before): RT -0.756622 -0.537904 -0.371729 -0.291436 0.786363 -0.5447 0.58531 -0.303797 -0.751744 -9.50357 -23.0194 -7.04814 \nprotocols.moves.RigidBodyMover: Randomize: Rot. Center (before): 10.9993 18.627 4.49482\nprotocols.geometry.RB_geometry: random_reorientation_matrix phi: 11.1729 psi: 344.877 theta: 83.9481\nprotocols.moves.RigidBodyMover: Randomize: Jump (after): RT -0.486379 0.663548 -0.568453 0.87368 0.377481 -0.306907 0.0109323 -0.645919 -0.763327 -26.0405 -1.29942 -8.70669 \nprotocols.moves.RigidBodyMover: Randomize: Rot. Center (after): 10.9993 18.627 4.49482\nprotocols.moves.RigidBodyMover: Randomize: ---\nprotocols.docking.DockingInitialPerturbation: randomize2: true\nprotocols.moves.RigidBodyMover: Randomize: Jump (before): RT -0.486379 0.663548 -0.568453 0.87368 0.377481 -0.306907 0.0109323 -0.645919 -0.763327 -26.0405 -1.29942 -8.70669 \nprotocols.moves.RigidBodyMover: Randomize: Rot. Center (before): 31.0222 33.6156 20.2004\nprotocols.geometry.RB_geometry: random_reorientation_matrix phi: 282.575 psi: 111.65 theta: 169.597\nprotocols.moves.RigidBodyMover: Randomize: Jump (after): RT -0.74083 -0.661512 0.1165 0.32114 -0.196492 0.926423 -0.589949 0.723736 0.358005 -26.2493 0.509255 -4.78167 \nprotocols.moves.RigidBodyMover: Randomize: Rot. Center (after): 31.0222 33.6156 20.2004\nprotocols.moves.RigidBodyMover: Randomize: ---\nprotocols.docking.DockingInitialPerturbation: dock_pert: true\nprotocols.docking.DockingInitialPerturbation: option[ docking::dock_pert ]()8 3\nprotocols.docking.DockingInitialPerturbation: axis_spin: true\nprotocols.moves.RigidBodyMover: Spin: Jump (before): RT -0.749456 -0.64671 0.141714 0.374347 -0.237397 0.896385 -0.546059 0.724851 0.420012 -22.6399 1.05783 -3.80211 \nprotocols.moves.RigidBodyMover: Spin: Rot (before): 28.9616 31.4484 17.8693\nprotocols.moves.RigidBodyMover: Spin: Jump (after): RT -0.874014 -0.485112 -0.0276674 0.453598 -0.835002 0.311481 -0.174206 0.259689 0.949849 -22.1886 -0.150984 -5.11729 \nprotocols.moves.RigidBodyMover: Spin: Rot (after): 28.9616 31.4484 17.8693\nprotocols.moves.RigidBodyMover: Spin: ---\nprotocols.docking.DockingInitialPerturbation: sliding into contact for centroid mode\nprotocols.docking.DockingInitialPerturbation: sliding into contact\nprotocols.docking.DockingInitialPerturbation: Moving away\nprotocols.docking.DockingInitialPerturbation: Moving together\nprotocols.docking.DockingProtocol: finished initial perturbation\nprotocols.docking.DockingLowRes: in DockingLowRes.apply\nprotocols.docking.DockingLowRes: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingLowRes: /// Docking Low Res Protocol ///\nprotocols.docking.DockingLowRes: /// ///\nprotocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 ///\nprotocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 ///\nprotocols.docking.DockingLowRes: /// Scorefunction: ///\nprotocols.docking.DockingLowRes: ScoreFunction::show():\nweights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockingLowRes: HbondOptions::show: mphbond: false\nprotocols.docking.DockingLowRes: \nprotocols.docking.DockingLowRes: \nprotocols.docking.DockingLowRes: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive:::::::::::::::::::\nprotocols.docking.DockingLowRes: Translation magnitude: 0.7\nprotocols.docking.DockingLowRes: Rotation magnitude: 5\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.34\nprotocols.docking.DockingLowRes: Translation magnitude: 0.63\nprotocols.docking.DockingLowRes: Rotation magnitude: 4.5\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.08\nprotocols.docking.DockingLowRes: Translation magnitude: 0.567\nprotocols.docking.DockingLowRes: Rotation magnitude: 4.05\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0\nprotocols.docking.DockingLowRes: Translation magnitude: 0.5103\nprotocols.docking.DockingLowRes: Rotation magnitude: 3.645\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.08\nprotocols.docking.DockingLowRes: Translation magnitude: 0.45927\nprotocols.docking.DockingLowRes: Rotation magnitude: 3.2805\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.1\nprotocols.docking.DockingLowRes: Translation magnitude: 0.413343\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.95245\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.04\nprotocols.docking.DockingLowRes: Translation magnitude: 0.372009\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.65721\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.08\nprotocols.docking.DockingLowRes: Translation magnitude: 0.334808\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.39148\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.24\nprotocols.docking.DockingLowRes: Translation magnitude: 0.301327\nprotocols.docking.DockingLowRes: Rotation magnitude: 2.15234\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.32\nprotocols.docking.DockingLowRes: Translation magnitude: 0.271194\nprotocols.docking.DockingLowRes: Rotation magnitude: 1.9371\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Accepted\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Rigid Body Perturbation Rejected\nprotocols.docking.DockingLowRes: Acceptance rate is: 0.16\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_missing_sidechains: packing residue number 1 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 2 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 3 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 4 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 5 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 6 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 7 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 9 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 10 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 11 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 12 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 13 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 14 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 15 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 16 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 17 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 18 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 19 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 20 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 21 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 22 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 24 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 25 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 27 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 28 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 29 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 30 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 31 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 32 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 33 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 34 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 35 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 36 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 37 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 38 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 39 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 40 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 41 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 42 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 43 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 44 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 45 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 46 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 47 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 48 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 49 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 50 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 51 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 52 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 53 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 54 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 55 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 56 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 58 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 59 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 60 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 61 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 62 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 63 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 65 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 66 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 67 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 68 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 69 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 70 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 71 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 72 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 73 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 74 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 75 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 76 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 77 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 78 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 79 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 80 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 81 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 82 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 84 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 85 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 86 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 87 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 89 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 90 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 91 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 92 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 93 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 94 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 95 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 96 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 97 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 99 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 100 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 101 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 102 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 103 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 104 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 106 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 107 because of missing atom number 6 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 108 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 109 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 110 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 111 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 112 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 113 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 114 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 115 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 116 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 117 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 118 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 119 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 120 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 121 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 122 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 123 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 124 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 125 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 126 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 127 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 128 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 129 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 130 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 131 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 132 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 133 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 134 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 135 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 136 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 137 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 138 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 139 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 140 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 141 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 142 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 144 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 145 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 146 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 147 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 148 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 149 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 150 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 151 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 152 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 153 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 154 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 156 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 157 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 158 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 159 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 160 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 161 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 162 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 163 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 164 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 165 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 166 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 167 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 168 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 169 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 170 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 171 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 172 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 173 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 174 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 175 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 176 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 177 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 178 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 179 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 181 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 182 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 183 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 184 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 185 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 186 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 187 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 188 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 189 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 190 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 191 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 192 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 193 because of missing atom number 5 atom name CB \ncore.pack.pack_missing_sidechains: packing residue number 194 because of missing atom number 6 atom name CB \nbasic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\ncore.scoring.elec.util: Read 40 countpair representative atoms\ncore.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\ncore.pack.pack_rotamers: built 4382 rotamers at 182 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.docking.DockingProtocol: Score before repack:\nprotocols.docking.DockingProtocol: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1127.861 -1127.861\n fa_rep 0.550 3393.803 1866.592\n fa_sol 1.000 781.515 781.515\n fa_intra_rep 0.005 426.252 2.131\n fa_intra_sol_xover4 1.000 42.056 42.056\n lk_ball_wtd 1.000 -22.402 -22.402\n fa_elec 1.000 -326.018 -326.018\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -36.282 -36.282\n hbond_sc 1.000 -20.830 -20.830\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 326.577 228.604\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: 1246.587\ncore.pack.pack_rotamers: built 2420 rotamers at 194 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.docking.DockingProtocol: Score after repack:\nprotocols.docking.DockingProtocol: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1114.415 -1114.415\n fa_rep 0.550 440.231 242.127\n fa_sol 1.000 757.417 757.417\n fa_intra_rep 0.005 430.786 2.154\n fa_intra_sol_xover4 1.000 42.550 42.550\n lk_ball_wtd 1.000 -25.547 -25.547\n fa_elec 1.000 -332.179 -332.179\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -35.092 -35.092\n hbond_sc 1.000 -20.792 -20.792\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 335.902 235.131\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -389.563\nprotocols.docking.DockMCMProtocol: in DockMCMProtocol.apply\nprotocols.docking.DockMCMProtocol: Using the DockingTaskFactory.\ncore.pack.rotamer_set.UnboundRotamersOperation: Adding 'unbound' rotamers from input_files/col_complex.pdb\nprotocols.docking.DockMCMCycle: Setting up defaults for DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\nprotocols.docking.DockMCMCycle: /// Dockable Jumps: 1 ///\nprotocols.docking.DockMCMCycle: /// Translation: 0.1 ///\nprotocols.docking.DockMCMCycle: /// Rotation: 5 ///\nprotocols.docking.DockMCMCycle: /// Scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: /// Packing scorefunction: ///\nprotocols.docking.DockMCMCycle: ScoreFunction::show():\nweights: (fa_atr 1) (fa_rep 0.55) (fa_sol 1) (fa_intra_rep 0.005) (fa_intra_sol_xover4 1) (lk_ball_wtd 1) (fa_elec 1) (pro_close 1.25) (hbond_sr_bb 1) (hbond_lr_bb 1) (hbond_bb_sc 1) (hbond_sc 1) (dslf_fa13 1.25) (omega 0.4) (fa_dun 0.7) (p_aa_pp 0.6) (yhh_planarity 0.625) (ref 1) (rama_prepro 0.45)\nanalytic_etable_evaluation: 1\nprotocols.docking.DockMCMCycle: HbondOptions::show: mphbond: false\nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: \nprotocols.docking.DockMCMCycle: ////////////////////////////////////////////////////////////////////////////////\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 738 rotamers at 19 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 173 rotamers at 8 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 127 rotamers at 7 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 111 rotamers at 7 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 116 rotamers at 7 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 108 rotamers at 6 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \ncore.pack.task: Packer task: initialize from command line() \nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1094.377 -1094.377\n fa_rep 0.550 212.734 117.004\n fa_sol 1.000 732.016 732.016\n fa_intra_rep 0.005 427.978 2.140\n fa_intra_sol_xover4 1.000 42.840 42.840\n lk_ball_wtd 1.000 -25.925 -25.925\n fa_elec 1.000 -333.666 -333.666\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -35.511 -35.511\n hbond_sc 1.000 -20.882 -20.882\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 334.725 234.307\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -522.972\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1097.482 -1097.482\n fa_rep 0.550 212.899 117.094\n fa_sol 1.000 736.105 736.105\n fa_intra_rep 0.005 427.978 2.140\n fa_intra_sol_xover4 1.000 42.840 42.840\n lk_ball_wtd 1.000 -25.809 -25.809\n fa_elec 1.000 -336.178 -336.178\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -35.511 -35.511\n hbond_sc 1.000 -22.422 -22.422\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 334.725 234.307\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -525.834\nprotocols.docking.DockingProtocol.metrics: unbound energy: -522.972\nprotocols.docking.DockingProtocol.metrics: bound energy: -525.834\nprotocols.docking.DockingProtocol.metrics: interaction energy: -2.86141\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.docking.DockingProtocol.metrics: unbound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1094.377 -1094.377\n fa_rep 0.550 212.734 117.004\n fa_sol 1.000 732.016 732.016\n fa_intra_rep 0.005 427.978 2.140\n fa_intra_sol_xover4 1.000 42.840 42.840\n lk_ball_wtd 1.000 -25.925 -25.925\n fa_elec 1.000 -333.666 -333.666\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -35.511 -35.511\n hbond_sc 1.000 -20.882 -20.882\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 334.725 234.307\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -522.972\nprotocols.docking.DockingProtocol.metrics: bound pose: \nprotocols.docking.DockingProtocol.metrics: \n------------------------------------------------------------\n Scores Weight Raw Score Wghtd.Score\n------------------------------------------------------------\n fa_atr 1.000 -1097.482 -1097.482\n fa_rep 0.550 212.899 117.094\n fa_sol 1.000 736.105 736.105\n fa_intra_rep 0.005 427.978 2.140\n fa_intra_sol_xover4 1.000 42.840 42.840\n lk_ball_wtd 1.000 -25.809 -25.809\n fa_elec 1.000 -336.178 -336.178\n pro_close 1.250 0.260 0.325\n hbond_sr_bb 1.000 -87.666 -87.666\n hbond_lr_bb 1.000 -24.377 -24.377\n hbond_bb_sc 1.000 -35.511 -35.511\n hbond_sc 1.000 -22.422 -22.422\n dslf_fa13 1.250 0.000 0.000\n omega 0.400 12.958 5.183\n fa_dun 0.700 334.725 234.307\n p_aa_pp 0.600 -53.041 -31.825\n yhh_planarity 0.625 0.276 0.172\n ref 1.000 17.224 17.224\n rama_prepro 0.450 -44.344 -19.955\n---------------------------------------------------\n Total weighted score: -525.834\nprotocols.docking.DockingProtocol.metrics: unbound energy: -522.972\nprotocols.docking.DockingProtocol.metrics: bound energy: -525.834\nprotocols.docking.DockingProtocol.metrics: interaction energy: -2.86141\nprotocols.docking.DockingProtocol.metrics: rb_jump: 1\nprotocols.jd2.JobDistributor: no more batches to process... \n\n\nLogFile log4\ncore.init: Checking for fconfig files in pwd and ./rosetta/flags \ncore.init: command: ROSETTA/source/bin/docking_prepack_protocol.default.linuxclangrelease @flag_ensemble_prepack -database ROSETTA/database -run:constant_seed -nodelay\nbasic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\nbasic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.etable: Starting energy table calculation\ncore.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\ncore.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\ncore.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\ncore.scoring.etable: Finished calculating energy tables.\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\ncore.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\nprotocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\nprotocols.jd2.PDBJobInputter: pushed input_files/col_complex.pdb nstruct index 1\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nprotocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \nprotocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job\nprotocols.jd2.PDBJobInputter: filling pose from PDB input_files/col_complex.pdb\ncore.import_pose.import_pose: File 'input_files/col_complex.pdb' automatically determined to be of type PDB\ncore.pack.rotamer_set.UnboundRotamersOperation: Adding 'unbound' rotamers from input_files/col_complex.pdb\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt\nprotocols.docking.DockingEnsemblePrepackProtocol: Ensemble 1: COL_D_ensemblelist.ensemble\nprotocols.moves.DockingEnsemble: Loading Ensemble\ncore.import_pose.import_pose: File 'input_files/COL_D_ensemble/COL_D_0001.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/COL_D_ensemble/COL_D_0002.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/COL_D_ensemble/COL_D_0003.pdb' automatically determined to be of type PDB\ncore.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 69 residue types\nprotocols.moves.DockingEnsemble: ensemble summary: start_res_ 1 end_res_ 107 conf_size_ 107 ensemble_size_ 3\nprotocols.docking.DockingEnsemblePrepackProtocol: Ensemble 2: IMM_D_ensemblelist.ensemble\nprotocols.moves.DockingEnsemble: Loading Ensemble\ncore.import_pose.import_pose: File 'input_files/IMM_D_ensemble/IMM_D_0001.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/IMM_D_ensemble/IMM_D_0002.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/IMM_D_ensemble/IMM_D_0003.pdb' automatically determined to be of type PDB\nprotocols.moves.DockingEnsemble: ensemble summary: start_res_ 108 end_res_ 194 conf_size_ 87 ensemble_size_ 3\ncore.pose.subpose_manipulation_util: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \nFOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 \nFOLD_TREE EDGE 51 1 -1 EDGE 51 87 -1 \ncore.import_pose.import_pose: File 'partner1_temp.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'partner2_temp.pdb' automatically determined to be of type PDB\nprotocols.relax.RelaxScriptManager: Reading relax scripts list from database.\nprotocols.relax.RelaxScriptManager: Looking for MonomerRelax2019.txt\nprotocols.relax.RelaxScriptManager: ================== Reading script file: ROSETTA/database/sampling/relax_scripts/MonomerRelax2019.txt ==================\nprotocols.relax.RelaxScriptManager: repeat %%nrepeats%%\nprotocols.relax.RelaxScriptManager: coord_cst_weight 1.0\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.040\nprotocols.relax.RelaxScriptManager: repack\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.051\nprotocols.relax.RelaxScriptManager: min 0.01\nprotocols.relax.RelaxScriptManager: coord_cst_weight 0.5\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.265\nprotocols.relax.RelaxScriptManager: repack\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.280\nprotocols.relax.RelaxScriptManager: min 0.01\nprotocols.relax.RelaxScriptManager: coord_cst_weight 0.0\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.559\nprotocols.relax.RelaxScriptManager: repack\nprotocols.relax.RelaxScriptManager: scale:fa_rep 0.581\nprotocols.relax.RelaxScriptManager: min 0.01\nprotocols.relax.RelaxScriptManager: coord_cst_weight 0.0\nprotocols.relax.RelaxScriptManager: scale:fa_rep 1\nprotocols.relax.RelaxScriptManager: repack\nprotocols.relax.RelaxScriptManager: min 0.00001\nprotocols.relax.RelaxScriptManager: accept_to_best\nprotocols.relax.RelaxScriptManager: endrepeat\nbasic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\ncore.scoring.elec.util: Read 40 countpair representative atoms\ncore.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\nprotocols.relax.FastRelax: CMD: repeat -286.938 0 0 0.55\nprotocols.relax.FastRelax: CMD: coord_cst_weight -286.938 0 0 0.55\nprotocols.relax.FastRelax: CMD: scale:fa_rep -346.01 0 0 0.022\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 3735 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -358.586 0 0 0.022\nprotocols.relax.FastRelax: CMD: scale:fa_rep -355.681 0 0 0.02805\nprotocols.relax.FastRelax: CMD: min -433.524 0.874091 0.874091 0.02805\nprotocols.relax.FastRelax: CMD: coord_cst_weight -433.524 0.874091 0.874091 0.02805\nprotocols.relax.FastRelax: CMD: scale:fa_rep -293.572 0.874091 0.874091 0.14575\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 3256 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -317.752 0.874091 0.874091 0.14575\nprotocols.relax.FastRelax: CMD: scale:fa_rep -310.749 0.874091 0.874091 0.154\nprotocols.relax.FastRelax: CMD: min -376.546 0.62596 0.62596 0.154\nprotocols.relax.FastRelax: CMD: coord_cst_weight -376.546 0.62596 0.62596 0.154\nprotocols.relax.FastRelax: CMD: scale:fa_rep -335.215 0.62596 0.62596 0.30745\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 3191 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -336.909 0.62596 0.62596 0.30745\nprotocols.relax.FastRelax: CMD: scale:fa_rep -333.727 0.62596 0.62596 0.31955\nprotocols.relax.FastRelax: CMD: min -344.35 0.521297 0.521297 0.31955\nprotocols.relax.FastRelax: CMD: coord_cst_weight -344.35 0.521297 0.521297 0.31955\nprotocols.relax.FastRelax: CMD: scale:fa_rep -303.455 0.521297 0.521297 0.55\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 3118 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -303.295 0.521297 0.521297 0.55\nprotocols.relax.FastRelax: CMD: min -327.496 0.496496 0.496496 0.55\nprotocols.relax.FastRelax: MRP: 0 -327.496 -327.496 0.496496 0.496496 \nprotocols.relax.FastRelax: CMD: accept_to_best -327.496 0.496496 0.496496 0.55\nprotocols.relax.FastRelax: CMD: endrepeat -327.496 0.496496 0.496496 0.55\nprotocols::checkpoint: Deleting checkpoints of FastRelax\nprotocols.relax.FastRelax: CMD: repeat -235.515 12.7182 0 0.55\nprotocols.relax.FastRelax: CMD: coord_cst_weight -235.515 12.7182 0 0.55\nprotocols.relax.FastRelax: CMD: scale:fa_rep -287.251 12.7182 0 0.022\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1798 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -300.864 12.7182 0 0.022\nprotocols.relax.FastRelax: CMD: scale:fa_rep -299.35 12.7182 0 0.02805\nprotocols.relax.FastRelax: CMD: min -386.642 12.4831 0.836989 0.02805\nprotocols.relax.FastRelax: CMD: coord_cst_weight -386.642 12.4831 0.836989 0.02805\nprotocols.relax.FastRelax: CMD: scale:fa_rep -228.858 12.4831 0.836989 0.14575\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1787 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -256.348 12.4831 0.836989 0.14575\nprotocols.relax.FastRelax: CMD: scale:fa_rep -248.025 12.4831 0.836989 0.154\nprotocols.relax.FastRelax: CMD: min -326.81 12.5695 0.600586 0.154\nprotocols.relax.FastRelax: CMD: coord_cst_weight -326.81 12.5695 0.600586 0.154\nprotocols.relax.FastRelax: CMD: scale:fa_rep -285.045 12.5695 0.600586 0.30745\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1708 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -285.348 12.5695 0.600586 0.30745\nprotocols.relax.FastRelax: CMD: scale:fa_rep -282.074 12.5695 0.600586 0.31955\nprotocols.relax.FastRelax: CMD: min -291.526 12.6081 0.530244 0.31955\nprotocols.relax.FastRelax: CMD: coord_cst_weight -291.526 12.6081 0.530244 0.31955\nprotocols.relax.FastRelax: CMD: scale:fa_rep -248.851 12.6081 0.530244 0.55\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1574 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.relax.FastRelax: CMD: repack -249.034 12.6081 0.530244 0.55\nprotocols.relax.FastRelax: CMD: min -272.65 12.6712 0.539844 0.55\nprotocols.relax.FastRelax: MRP: 0 -272.65 -272.65 12.6712 0.539844 \nprotocols.relax.FastRelax: CMD: accept_to_best -272.65 12.6712 0.539844 0.55\nprotocols.relax.FastRelax: CMD: endrepeat -272.65 12.6712 0.539844 0.55\nprotocols::checkpoint: Deleting checkpoints of FastRelax\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 3100 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -326.372\nprotocols.moves.DockingEnsemble: filename: input_files/COL_D_ensemble/partner1_starting_conf.pdb.ppk\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1435 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -272.306\nprotocols.moves.DockingEnsemble: filename: input_files/IMM_D_ensemble/partner2_starting_conf.pdb.ppk\nprotocols.moves.DockingEnsemble: score_low: -5.13425\nprotocols.moves.DockingEnsemble: score_low: -5.13425\nprotocols.moves.DockingEnsemble: score_low: -4.26693\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 2950 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -296.321\nprotocols.moves.DockingEnsemble: filename: input_files/COL_D_ensemble/COL_D_0001.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/COL_D_ensemble/COL_D_0001.pdb.ppk\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes.\nprotocols.moves.DockingEnsemble: score_low: -5.03751\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 2994 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -298.784\nprotocols.moves.DockingEnsemble: filename: input_files/COL_D_ensemble/COL_D_0002.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/COL_D_ensemble/COL_D_0002.pdb.ppk\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes.\nprotocols.moves.DockingEnsemble: score_low: -4.03374\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 2982 rotamers at 107 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -299.492\nprotocols.moves.DockingEnsemble: filename: input_files/COL_D_ensemble/COL_D_0003.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/COL_D_ensemble/COL_D_0003.pdb.ppk\nprotocols.docking.DockingEnsemblePrepackProtocol: outside the first ensemble loop\nprotocols.moves.DockingEnsemble: input_files/COL_D_ensemble/COL_D_0001.pdb.ppk\n\nprotocols.moves.DockingEnsemble: input_files/COL_D_ensemble/COL_D_0002.pdb.ppk\n\nprotocols.moves.DockingEnsemble: input_files/COL_D_ensemble/COL_D_0003.pdb.ppk\n\nprotocols.moves.DockingEnsemble: score_low: -6.63069\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1573 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -249.23\nprotocols.moves.DockingEnsemble: filename: input_files/IMM_D_ensemble/IMM_D_0001.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/IMM_D_ensemble/IMM_D_0001.pdb.ppk\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes.\nprotocols.moves.DockingEnsemble: score_low: -6.46975\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1509 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -246.303\nprotocols.moves.DockingEnsemble: filename: input_files/IMM_D_ensemble/IMM_D_0002.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/IMM_D_ensemble/IMM_D_0002.pdb.ppk\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes.\nprotocols.moves.DockingEnsemble: score_low: -5.34301\ncore.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 1470 rotamers at 87 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.moves.DockingEnsemble: score_high: -243.888\nprotocols.moves.DockingEnsemble: filename: input_files/IMM_D_ensemble/IMM_D_0003.pdb.ppk\nprotocols.moves.DockingEnsemble: filename in array: input_files/IMM_D_ensemble/IMM_D_0003.pdb.ppk\nprotocols.docking.DockingEnsemblePrepackProtocol: outside the second ensemble loop\nprotocols.moves.DockingEnsemble: input_files/IMM_D_ensemble/IMM_D_0001.pdb.ppk\n\nprotocols.moves.DockingEnsemble: input_files/IMM_D_ensemble/IMM_D_0002.pdb.ppk\n\nprotocols.moves.DockingEnsemble: input_files/IMM_D_ensemble/IMM_D_0003.pdb.ppk\n\ncore.pack.task: Packer task: initialize from command line() \ncore.pack.pack_rotamers: built 4674 rotamers at 194 positions.\ncore.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph\nprotocols.jd2.JobDistributor: no more batches to process... \n\n\nLogFile log5\ncore.init: Checking for fconfig files in pwd and ./rosetta/flags \ncore.init: command: ROSETTA/source/bin/docking_protocol.default.linuxclangrelease @flag_ensemble_docking -database ROSETTA/database -run:constant_seed -nodelay\nbasic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\nbasic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt\nbasic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.etable: Starting energy table calculation\ncore.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\ncore.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\ncore.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\ncore.scoring.etable: Finished calculating energy tables.\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\nbasic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\ncore.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\nbasic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\nprotocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\nprotocols.jd2.PDBJobInputter: pushed input_files/col_complex.pdb nstruct index 1\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\nprotocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \nprotocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job\nprotocols.jd2.PDBJobInputter: filling pose from PDB input_files/col_complex.pdb\ncore.import_pose.import_pose: File 'input_files/col_complex.pdb' automatically determined to be of type PDB\ncore.import_pose.import_pose: File 'input_files/1v74.pdb' automatically determined to be of type PDB\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107\ncore.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingInitialPerturbation: Reading options...\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\ncore.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\nprotocols.docking.DockingProtocol: Setting docking foldtree\nprotocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 \nprotocols.docking.DockingProtocol: new fold tree: FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 \n\nERROR: The ensembles must be prepacked using the docking_prepack_protocol executable to run EnsembleDock!\nERROR:: Exit from: src/protocols/docking/DockingProtocol.cc line: 597\nprotocols.jd2.JobDistributor: [ ERROR ] \n\n[ERROR] Exception caught by JobDistributor for job col_complex_ensemble_dock_0001\n\n[ ERROR ]: Caught exception:\n\n\nFile: src/protocols/docking/DockingProtocol.cc:597\n[ ERROR ] UtilityExitException\nERROR: The ensembles must be prepacked using the docking_prepack_protocol executable to run EnsembleDock!\n\n\n ------------------------ Begin developer's backtrace ------------------------- \nBACKTRACE:\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libutility.so(backtrace_string(int)+0x34) [0x7fc700da0bc4]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x55) [0x7fc700dc5185]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::UtilityExitException::UtilityExitException(char const*, int, std::string const&)+0x67) [0x7fc700da4e17]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::exit(char const*, int, std::string const&, int)+0x31) [0x7fc700da4d61]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::finalize_setup(core::pose::Pose&)+0x1b26) [0x7fc70bad68f6]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::apply(core::pose::Pose&)+0x3d4) [0x7fc70bade6c4]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::string&, std::string&, unsigned long&, unsigned long&, bool)+0x2638) [0x7fc706748cc8]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x10f) [0x7fc70674530f]\nROSETTA/source/build/src/release/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x64) [0x7fc70673f2d4]\nROSETTA/source/bin/docking_protocol.default.linuxclangrelease() [0x402895]\nROSETTA/source/bin/docking_protocol.default.linuxclangrelease() [0x402bd2]\n/lib64/libc.so.6(__libc_start_main+0xf5) [0x7fc6fdcb3555]\nROSETTA/source/bin/docking_protocol.default.linuxclangrelease() [0x402421]\n ------------------------- End developer's backtrace -------------------------- \n\n\nAN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.\n\n\nprotocols.jd2.JobDistributor: [ WARNING ] col_complex_ensemble_dock_0001 reported failure and will NOT retry\nprotocols.jd2.JobDistributor: no more batches to process... \n\n---------------------------------------------------------------\n[ ERROR ]: Error(s) were encountered when running jobs.\n1 jobs failed;\nCheck the output further up for additional error messages.\n---------------------------------------------------------------\n\n",
"state": "script failed"
},
"Relax_Tutorial": {
"log": "",
"state": "passed"
},
"Symmetry": {
"log": "",
"state": "passed"
},
"advanced_denovo_structure_prediction": {
"log": "",
"state": "passed"
},
"advanced_protein-protein_docking": {
"log": "",
"state": "passed"
},
"advanced_scripting_with_rosettascripts": {
"log": "",
"state": "passed"
},
"analysis": {
"log": "",
"state": "passed"
},
"denovo_structure_prediction": {
"log": "",
"state": "passed"
},
"fold_tree": {
"log": "",
"state": "passed"
},
"full_atom_vs_centroid": {
"log": "",
"state": "passed"
},
"input_and_output": {
"log": "",
"state": "passed"
},
"ligand_docking": {
"log": "",
"state": "passed"
},
"loop_modeling": {
"log": "",
"state": "passed"
},
"minimization": {
"log": "",
"state": "passed"
},
"prepare_ligand": {
"log": "",
"state": "passed"
},
"protein_design": {
"log": "",
"state": "passed"
},
"rosetta_cm": {
"log": "",
"state": "passed"
},
"scoring": {
"log": "",
"state": "passed"
},
"scripting_with_rosettascripts": {
"log": "",
"state": "passed"
},
"test_keywords": {
"log": "",
"state": "passed"
}
}
}