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Revisions №61849

branch: master 「№61849」
Commited by: Andy Watkins
GitHub commit link: 「7d40d84d8ee4f584」 「№5856」
Difference from previous tested commit:  code diff
Commit date: 2022-03-08 14:58:14
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 m1.clang.python38.PyRosetta4.unit m1.clang.python39.PyRosetta4.unit mac.clang.python36.PyRosetta4.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static mac.clang.static.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.valgrind integration maintenance.documentation performance profile m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.loop_modeling_kic_fragments_12res scientific.mp_f19_sequence_recovery scientific.peptide_pnear_vs_ic50.debug scientific.sb_talaris14_docking 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 mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #5856 from RosettaCommons/everyday847/cyrus_atom_type_updates MM atom type updates

...
Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences ContactMolecularSurface DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FilterReportAsPoseExtraScoresMover InterfaceAnalyzer InterfaceDdG LoopAnalyzer LoopLengthChange ModifyVariantTypeMover RBOut SSElementSelector add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data antibody_designer_xml autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot binselector binselector_probins buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm carbohydrates cart_min_glycans ccd_ends_graft_mover_rs centroid_from_fullatom cleanAlignment coarse_rna_scoring coenzymes constraints_metric control_flow_rs coupled_moves create_sequence_motif crosslinkermover_1_4_bbmb_asymm crosslinkermover_1_4_bbmb_c2_symmetry crosslinkermover_1_4_bbmb_s2_symm crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cst_info custom_basetype_packer_palette cyclization cycpep_design_pipeline cycpep_rdkit_metric cycpep_rigid_body_permutation_mover cycpep_symmetry_filter d_workflow database_md5 database_session_resource ddG_of_mutation ddG_scan design_w_custom_palette-CAAs design_w_custom_palette-NCAAs design_w_custom_palette-RNA disulfidize_beta_cys dock_with_hotspot_place_simultaneously doug_dock_design_min_mod2_cal_cal enumerative_sampling enzscore_filter_dimetal enzscore_filter_dimetal_sym enzscore_filter_ligand enzscore_filter_metal enzscore_filter_metal_sym evolution explicit_membrane farnesyl favor_coupling_tensor favor_native_residue features features_parallel features_pdb fiber_diffraction_fad fold_and_dock fold_from_loops fuzzy ga_ligand_dock ga_ligand_dock_amino_acid genkic_bin_perturbing genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling genkic_sugars glycan_anomers glycan_refinment glycan_sequon_scanner glycan_tree_relax grid_scores_features hbnet_use_input_rot homodimer_fnd_ref2015_memb hotspot_graft hts_io hybridization interaction_graph_summary_metric job_definition_script_vars kinemage_grid_output ld_converter ligand_database_io ligand_dock_ensemble ligand_dock_grid ligand_dock_script ligand_motif_design ligand_water_docking loop_creation loop_grower_N_term_symm make_mainchain_potential make_mainchain_potential_symm make_mainchain_potential_symm_preproline make_rot_lib make_symmdef_file match_xml metropolis_hastings mf_fixbb_des mf_fixbb_sc mf_flexbb_sc mhc_epitope mhc_epitope_nmer_preload minimize_with_elec_dens mirror_symm mm_params motif_score_filter mp_ligand_interface mp_quick_relax_ref2015_memb mp_relax mp_span_ang_ref2015_memb mp_symmetry_load multistage_rosetta_scripts multistage_rosetta_scripts_clustering ncaa_fixbb netcharge_design netcharge_design_symm nonideal_rtmin oligourea_design oop_create oop_dock_design output_schema pertmin phiselector place_simultaneously pna_base_pairs pose_sewing posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk protocol_metric rdkit_metrics real_virt_mover recon_design remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens res_lipo_ref2015_memb resource_database_locator rnp_ddg_finalize rollmover rosetta_scripts_hbond_options rosetta_scripts_include rosetta_scripts_jd3 rosetta_scripts_loops rosetta_scripts_setup rosie_ligand_docking rotamer_probability rs_flexbbmoves rs_loophash sasa_metric_options score12_docking score_only_silence sdf_reader secondary_structure_output selected_residue_count_metric set_torsion simple_glycosylation simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_in_protocols simple_metrics_per_residue small_molecule_lattice_dock splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_H3_same splice_out_H3_shorter splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter startfrom_file stored_residue_subset swm_add_rosettascripts symm_disulfidize symm_rotamer_boltzmann symmetry_data_resource target_clash threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file
Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences ContactMolecularSurface DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FilterReportAsPoseExtraScoresMover InterfaceAnalyzer InterfaceDdG LoopAnalyzer LoopLengthChange ModifyVariantTypeMover RBOut SSElementSelector add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data antibody_designer_xml autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot binselector binselector_probins buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm carbohydrates cart_min_glycans ccd_ends_graft_mover_rs centroid_from_fullatom cleanAlignment coarse_rna_scoring coenzymes constraints_metric control_flow_rs coupled_moves create_sequence_motif crosslinkermover_1_4_bbmb_asymm crosslinkermover_1_4_bbmb_c2_symmetry crosslinkermover_1_4_bbmb_s2_symm crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cst_info custom_basetype_packer_palette cyclization cycpep_design_pipeline cycpep_rdkit_metric cycpep_rigid_body_permutation_mover cycpep_symmetry_filter d_workflow database_md5 database_session_resource ddG_of_mutation ddG_scan design_w_custom_palette-CAAs design_w_custom_palette-NCAAs design_w_custom_palette-RNA disulfidize_beta_cys dock_with_hotspot_place_simultaneously doug_dock_design_min_mod2_cal_cal enumerative_sampling enzscore_filter_dimetal enzscore_filter_dimetal_sym enzscore_filter_ligand enzscore_filter_metal enzscore_filter_metal_sym evolution explicit_membrane farnesyl favor_coupling_tensor favor_native_residue features features_parallel features_pdb fiber_diffraction_fad fold_and_dock fold_from_loops fuzzy ga_ligand_dock ga_ligand_dock_amino_acid genkic_bin_perturbing genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling genkic_sugars glycan_anomers glycan_refinment glycan_sequon_scanner glycan_tree_relax grid_scores_features hbnet_use_input_rot homodimer_fnd_ref2015_memb hotspot_graft hts_io hybridization interaction_graph_summary_metric job_definition_script_vars kinemage_grid_output ld_converter ligand_database_io ligand_dock_ensemble ligand_dock_grid ligand_dock_script ligand_motif_design ligand_water_docking loop_creation loop_grower_N_term_symm make_mainchain_potential make_mainchain_potential_symm make_mainchain_potential_symm_preproline make_rot_lib make_symmdef_file match_xml metropolis_hastings mf_fixbb_des mf_fixbb_sc mf_flexbb_sc mhc_epitope mhc_epitope_nmer_preload minimize_with_elec_dens mirror_symm mm_params motif_score_filter mp_ligand_interface mp_quick_relax_ref2015_memb mp_relax mp_relax_w_ligand mp_span_ang_ref2015_memb mp_symmetry_load multistage_rosetta_scripts multistage_rosetta_scripts_clustering ncaa_fixbb netcharge_design netcharge_design_symm nonideal_rtmin oligourea_design oop_create oop_dock_design output_schema pertmin phiselector place_simultaneously pna_base_pairs pose_sewing posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk protocol_metric rdkit_metrics real_virt_mover recon_design remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens res_lipo_ref2015_memb resource_database_locator rollmover rosetta_scripts_hbond_options rosetta_scripts_include rosetta_scripts_jd3 rosetta_scripts_loops rosetta_scripts_setup rosie_ligand_docking rotamer_probability rs_flexbbmoves rs_loophash sasa_metric_options score12_docking score_only_silence sdf_reader secondary_structure_output selected_residue_count_metric set_torsion simple_glycosylation simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_in_protocols simple_metrics_per_residue small_molecule_lattice_dock splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_H3_same splice_out_H3_shorter splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter startfrom_file stored_residue_subset swm_add_rosettascripts symm_disulfidize symm_rotamer_boltzmann symmetry_data_resource target_clash threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file
Test: linux.clang.profile

Failed sub-tests (click for more details):
ligand_dock_7cpa
Test: linux.clang.scientific.loop_modeling_kic_fragments_12res

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