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Revisions №61430

branch: master 「№61430」
Commited by: Rocco Moretti
GitHub commit link: 「d13ff3f9e5963c36」 「№4714」
Difference from previous tested commit:  code diff
Commit date: 2020-09-24 16:28:26
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta4.notebook gcc-9.gcc.python37.PyRosetta4.unit linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-9.gcc.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL mac.clang.python36.build.debug build.header build.levels build.ninja_debug graphics static build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration performance profile release.source scientific.antibody_snugdock.debug scientific.dock_glycans.debug scientific.ligand_docking.debug scientific.protein_data_bank_diagnostic.full linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release gcc-9.gcc.unit util.apps

Merge pull request #4714 from RosettaCommons/roccomoretti/rdkit_submodule2 Add RDKit as a submodule to Rosetta. While Rosetta has a bunch of functionality for macromolecule modeling, it's lacking functionality for small molecule modeling. The RDKit (http://rdkit.org/) is a widely-used BSD-licensed library for chemoinformatics and analysis & manipulation of small molecules. While primarily used as a Python package, RDKit has a C++ library backing. This PR adds RDKit as a submodule in the external/ directory, and hooks the C++ library into Rosetta compilation. (Such that the files will be compiled with Rosetta.) In addition to the library, included in this PR are two classes to facilitate transformation from a Rosetta ResidueType to an RDKit molecule and back again. It also includes a SimpleMetric and a Mover which can be used to run a number of chemoinformatic measures (such as logP, TPSA, etc.) over a specified ResidueType. Other functionality such as rotamer library generation and ligand manipulation will be added in future PRs. (This PR is one in a series to merge my drug_design branch into master.)

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Test: gcc-9.gcc.serialization.python37.PyRosetta4.notebook

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Test: gcc-9.gcc.python37.PyRosetta4.unit

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Test: linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit

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Test: linux.gcc.python36.PyRosetta4.unit

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Test: linux.gcc.mpi.serialization.build.debug

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Test: linux.clang.build.header

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Test: linux.clang.build.levels

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Test: linux.clang.build.ninja_debug

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Test: mac.clang.python27.build.xcode

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Test: ubuntu.clang.code_quality.clang_tidy

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Test: linux.clang.integration.release_debug_no_symbols

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Test: linux.clang.performance

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core_scoring_Score_100x_envsmooth
Test: linux.clang.scientific.antibody_snugdock.debug

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Test: linux.clang.scientific.dock_glycans.debug

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Test: linux.clang.python36.scripts.pyrosetta

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Test: linux.clang.scripts.rosetta.parse

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Test: linux.clang.scripts.rosetta.validate

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Test: linux.clang.unit.release

Failed sub-tests (click for more details):
core:ConformationUtilityFunctionTests:test_residue_from_name core:CyclicGeometryTests:test_cyclic_permutation_cart_bonded core:CyclicGeometryTests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometryTests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometryTests:test_cyclic_permutation_fa_atr core:CyclicGeometryTests:test_cyclic_permutation_fa_dun core:CyclicGeometryTests:test_cyclic_permutation_fa_elec core:CyclicGeometryTests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometryTests:test_cyclic_permutation_fa_rep core:CyclicGeometryTests:test_cyclic_permutation_fa_sol core:CyclicGeometryTests:test_cyclic_permutation_hbonds core:CyclicGeometryTests:test_cyclic_permutation_omega core:CyclicGeometryTests:test_cyclic_permutation_p_aa_pp core:CyclicGeometryTests:test_cyclic_permutation_pro_close core:CyclicGeometryTests:test_cyclic_permutation_rama core:CyclicGeometryTests:test_cyclic_permutation_rama_prepro core:CyclicGeometryTests:test_cyclic_permutation_talaris2014 core:CyclicGeometryTests:test_cyclic_permutation_yhh_planarity core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_cart_bonded core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_dslf_fa13 core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_atr core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_dun core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_elec core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_intra_rep core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_rep core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_fa_sol core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_hbonds core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_omega core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_p_aa_pp core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_pro_close core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_rama core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_rama_prepro core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_talaris2014 core:CyclicGeometryTests_nmethyl:test_cyclic_permutation_yhh_planarity core:CyclicGeometryTwoChainTests:test_cyclic_permutation_cart_bonded core:CyclicGeometryTwoChainTests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometryTwoChainTests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_atr core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_dun core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_elec core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_rep core:CyclicGeometryTwoChainTests:test_cyclic_permutation_fa_sol core:CyclicGeometryTwoChainTests:test_cyclic_permutation_hbonds core:CyclicGeometryTwoChainTests:test_cyclic_permutation_omega core:CyclicGeometryTwoChainTests:test_cyclic_permutation_p_aa_pp core:CyclicGeometryTwoChainTests:test_cyclic_permutation_pro_close core:CyclicGeometryTwoChainTests:test_cyclic_permutation_rama core:CyclicGeometryTwoChainTests:test_cyclic_permutation_rama_prepro core:CyclicGeometryTwoChainTests:test_cyclic_permutation_talaris2014 core:CyclicGeometryTwoChainTests:test_cyclic_permutation_yhh_planarity core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_dun core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_hbonds core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_omega core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_pro_close core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_rama core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_rama_prepro core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_talaris2014 core:CyclicGeometryTwoChain_nmethyl_Tests:test_cyclic_permutation_yhh_planarity core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_beta_nov16 core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_atr core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_dun core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_elec core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_rep core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_fa_sol core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_hbonds core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_hxl_tors core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_lk_ball core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_omega core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_pro_close core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_rama core:CyclicGeometry_beta_peptoid_TwoChainTests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_beta_nov15 core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_dun core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_hbonds core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_lk_ball_wtd core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_omega core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_pro_close core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_rama core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_betanov15_Tests:test_cyclic_permutation_yhh_planarity core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_beta_nov15 core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_atr core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_dun core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_elec core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_rep core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_fa_sol core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_hbonds core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_lk_ball_wtd core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_omega core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_pro_close core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_rama core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_betanov15_TwoChainTests:test_cyclic_permutation_yhh_planarity core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_beta_nov16 core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_hbonds core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_hxl_tors core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_lk_ball core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_omega core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_pro_close core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_rama core:CyclicGeometry_betanov16_Tests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_beta_nov16 core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_atr core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_elec core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_rep core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_fa_sol core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_hbonds core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_hxl_tors core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_lk_ball core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_omega core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_pro_close core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_rama core:CyclicGeometry_betanov16_TwoChainTests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_beta core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_cart_bonded core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_atr core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_dun_rot core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_elec core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_intra_elec core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_intra_sol_xover4 core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_rep core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_fa_sol core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_hbonds core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_hxl_tors core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_lk_ball core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_lk_ball_iso core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_omega core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_pro_close core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_rama core:CyclicGeometry_nmethyl_beta_Tests:test_cyclic_permutation_rama_prepro core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_current_default_scorefxn core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_dslf_fa13 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_dev core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_dun_semi core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_atr_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_intra_rep_xover4 core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_fa_rep core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_lk_ball_bridge_uncpl core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_p_aa_pp core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_pro_close core:CyclicGeometry_nmethyl_beta_TwoChainTests_A:test_cyclic_permutation_rama_prepro core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_beta core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_cart_bonded core:CyclicGeometry_nmethyl_beta_TwoChainTests_B:test_cyclic_permutation_fa_atr 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core:SymmDLTests:test_symm_DL_cart_bonded core:SymmDLTests:test_symm_DL_default_scorefxn core:SymmDLTests:test_symm_DL_dslf_fa13 core:SymmDLTests:test_symm_DL_fa_atr core:SymmDLTests:test_symm_DL_fa_dun core:SymmDLTests:test_symm_DL_fa_elec core:SymmDLTests:test_symm_DL_fa_intra_rep core:SymmDLTests:test_symm_DL_fa_rep core:SymmDLTests:test_symm_DL_fa_sol core:SymmDLTests:test_symm_DL_hbonds core:SymmDLTests:test_symm_DL_omega core:SymmDLTests:test_symm_DL_p_aa_pp core:SymmDLTests:test_symm_DL_pro_close core:SymmDLTests:test_symm_DL_rama core:SymmDLTests:test_symm_DL_rama_prepro core:SymmDLTests:test_symm_DL_rama_prepro2 core:SymmDLTests:test_symm_DL_talaris2014 core:SymmDLTests:test_symm_DL_yhh_planarity core:SymmDL_NCAATests:test_symm_DL_cart_bonded core:SymmDL_NCAATests:test_symm_DL_default_scorefxn core:SymmDL_NCAATests:test_symm_DL_dslf_fa13 core:SymmDL_NCAATests:test_symm_DL_fa_atr core:SymmDL_NCAATests:test_symm_DL_fa_dun core:SymmDL_NCAATests:test_symm_DL_fa_elec core:SymmDL_NCAATests:test_symm_DL_fa_intra_rep core:SymmDL_NCAATests:test_symm_DL_fa_rep core:SymmDL_NCAATests:test_symm_DL_fa_sol core:SymmDL_NCAATests:test_symm_DL_hbonds core:SymmDL_NCAATests:test_symm_DL_omega core:SymmDL_NCAATests:test_symm_DL_p_aa_pp core:SymmDL_NCAATests:test_symm_DL_pro_close core:SymmDL_NCAATests:test_symm_DL_rama_prepro core:SymmDL_NCAATests:test_symm_DL_rama_prepro2 core:SymmDL_NCAATests:test_symm_DL_ref2015 core:SymmDL_NCAATests:test_symm_DL_yhh_planarity core:SymmDL_NCAA_betaTests:test_symm_DL_beta core:SymmDL_NCAA_betaTests:test_symm_DL_cart_bonded core:SymmDL_NCAA_betaTests:test_symm_DL_default_beta_scorefxn core:SymmDL_NCAA_betaTests:test_symm_DL_dslf_fa13 core:SymmDL_NCAA_betaTests:test_symm_DL_fa_atr core:SymmDL_NCAA_betaTests:test_symm_DL_fa_dun core:SymmDL_NCAA_betaTests:test_symm_DL_fa_elec core:SymmDL_NCAA_betaTests:test_symm_DL_fa_intra_rep core:SymmDL_NCAA_betaTests:test_symm_DL_fa_rep core:SymmDL_NCAA_betaTests:test_symm_DL_fa_sol core:SymmDL_NCAA_betaTests:test_symm_DL_hbonds core:SymmDL_NCAA_betaTests:test_symm_DL_omega core:SymmDL_NCAA_betaTests:test_symm_DL_p_aa_pp core:SymmDL_NCAA_betaTests:test_symm_DL_pro_close core:SymmDL_NCAA_betaTests:test_symm_DL_rama_prepro core:SymmDL_NCAA_betaTests:test_symm_DL_rama_prepro2 core:SymmDL_NCAA_betaTests:test_symm_DL_yhh_planarity core:SymmDL_beta_Tests:test_symm_DL_beta core:SymmDL_beta_Tests:test_symm_DL_beta_default_scorefxn core:SymmDL_beta_Tests:test_symm_DL_cart_bonded core:SymmDL_beta_Tests:test_symm_DL_dslf_fa13 core:SymmDL_beta_Tests:test_symm_DL_fa_atr core:SymmDL_beta_Tests:test_symm_DL_fa_dun core:SymmDL_beta_Tests:test_symm_DL_fa_elec core:SymmDL_beta_Tests:test_symm_DL_fa_intra_rep core:SymmDL_beta_Tests:test_symm_DL_fa_intra_sol_xover4 core:SymmDL_beta_Tests:test_symm_DL_fa_rep core:SymmDL_beta_Tests:test_symm_DL_fa_sol core:SymmDL_beta_Tests:test_symm_DL_hbonds core:SymmDL_beta_Tests:test_symm_DL_lk_ball_wtd core:SymmDL_beta_Tests:test_symm_DL_omega core:SymmDL_beta_Tests:test_symm_DL_p_aa_pp core:SymmDL_beta_Tests:test_symm_DL_pro_close core:SymmDL_beta_Tests:test_symm_DL_rama core:SymmDL_beta_Tests:test_symm_DL_rama_prepro core:SymmDL_beta_Tests:test_symm_DL_rama_prepro2 core:SymmDL_beta_Tests:test_symm_DL_yhh_planarity core:SymmDL_nmethyl_Tests:test_symm_DL_cart_bonded core:SymmDL_nmethyl_Tests:test_symm_DL_default_scorefxn core:SymmDL_nmethyl_Tests:test_symm_DL_dslf_fa13 core:SymmDL_nmethyl_Tests:test_symm_DL_fa_atr core:SymmDL_nmethyl_Tests:test_symm_DL_fa_dun core:SymmDL_nmethyl_Tests:test_symm_DL_fa_elec core:SymmDL_nmethyl_Tests:test_symm_DL_fa_intra_rep core:SymmDL_nmethyl_Tests:test_symm_DL_fa_rep core:SymmDL_nmethyl_Tests:test_symm_DL_fa_sol core:SymmDL_nmethyl_Tests:test_symm_DL_hbonds core:SymmDL_nmethyl_Tests:test_symm_DL_omega core:SymmDL_nmethyl_Tests:test_symm_DL_p_aa_pp core:SymmDL_nmethyl_Tests:test_symm_DL_pro_close core:SymmDL_nmethyl_Tests:test_symm_DL_rama core:SymmDL_nmethyl_Tests:test_symm_DL_rama_prepro core:SymmDL_nmethyl_Tests:test_symm_DL_rama_prepro2 core:SymmDL_nmethyl_Tests:test_symm_DL_talaris2014 core:SymmDL_nmethyl_Tests:test_symm_DL_yhh_planarity core:SymmDL_peptoid_Tests:test_peptoid_mirroring core:SymmDL_peptoid_Tests:test_symm_DL_cart_bonded core:SymmDL_peptoid_Tests:test_symm_DL_default_scorefxn core:SymmDL_peptoid_Tests:test_symm_DL_dslf_fa13 core:SymmDL_peptoid_Tests:test_symm_DL_fa_atr core:SymmDL_peptoid_Tests:test_symm_DL_fa_dun core:SymmDL_peptoid_Tests:test_symm_DL_fa_elec core:SymmDL_peptoid_Tests:test_symm_DL_fa_intra_rep core:SymmDL_peptoid_Tests:test_symm_DL_fa_rep core:SymmDL_peptoid_Tests:test_symm_DL_fa_sol core:SymmDL_peptoid_Tests:test_symm_DL_hbonds core:SymmDL_peptoid_Tests:test_symm_DL_omega core:SymmDL_peptoid_Tests:test_symm_DL_p_aa_pp core:SymmDL_peptoid_Tests:test_symm_DL_pro_close core:SymmDL_peptoid_Tests:test_symm_DL_rama core:SymmDL_peptoid_Tests:test_symm_DL_rama_prepro core:SymmDL_peptoid_Tests:test_symm_DL_rama_prepro2 core:SymmDL_peptoid_Tests:test_symm_DL_talaris2014 core:SymmDL_peptoid_Tests:test_symm_DL_yhh_planarity core:TaskOperationsTests:test_ProhibitResidueProperties core:mmtf_IO:test_add_or_read_extra_data protocols:DisulfidizeMoverTests:test_disulfidize protocols:DisulfidizeMoverTests:test_multiplex protocols:MutateResidueTests:test_mutate_disulfide
Test: linux.gcc.unit.release

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Test: linux.gcc.cxx11thread.serialization.unit

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