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Revisions №61234

branch: master 「№61234」
Commited by: Vikram K. Mulligan
GitHub commit link: 「11cdcb4e0a1580f4」 「№4641」
Difference from previous tested commit:  code diff
Commit date: 2020-04-13 15:41:45
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 build.cppcheck alpine.gcc.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 serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration performance profile release.source scientific.mp_f19_sequence_recovery.debug 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 #4641 from RosettaCommons/vmullig/add_centroid_ncaas Add centroid params files for AIB, ORN, DAB, and DAP. This adds centroid-mode params files for commonly-used noncanonicals, plus a unit test confirming that they work as expected.

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Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
AnchoredDesign AnchoredPDBCreator FloppyTail KIC_refine KIC_vicinity KIC_with_fragments ModifyVariantTypeMover PolarDesign2019 SnugDock UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm abinitio antibody_H3 antibody_H3_camelid antibody_designer_xml antibody_graft antibody_numbering_converter assemble_domains_jd2 autosetup_metals_centroid batch_relax beta_strand_homodimer broker burial_measure_centroid buried_unsat_voids_hbnet_design c-term_conjugation ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom classic_relax_1a19 combine_silent contactMap crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal 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 cyclization cycpep_design_pipeline d_workflow database_md5 database_session_resource ddG_ensemble ddG_of_mutation density_denovo density_refine density_refine_symm disulfidize_beta_cys docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_local_refine docking_local_refine_min docking_low_res docking_prepack docking_site_constraints enumerative_sampling enzdes extract_pdbs farnesyl fast_relax fiber_diffraction fiber_diffraction_fad fixbb flexpepdock flexpepdock_abinitio fold_and_dock fold_from_loops genkic_bin_perturbing genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling genkic_sugars glycan_refinment hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbs_design helical_bundle_predict helical_bundle_predict_skipping_residues helix_from_sequence homodimer_fnd_ref2015_memb hotspot_hashing hybridization identify_cdr_clusters jd2test_PDBIO jd2test_PDBin_mmCIFout jd2test_PDBin_mmCIFout_extra_data_separate jd2test_mmCIFIO jd2test_mmCIFin_PDBout kinematic_looprelax ligand_database_io ligand_dock_script ligand_motif_design ligand_water_docking loop_hash loop_modeling membrane_abinitio metal_setup metalloprotein_abrelax min_pack_min minimize_with_elec_dens mirror_symm motif_dna_packer_design mp_dock mp_domain_assembly mp_domain_assembly_FtsQ mp_symdock mr_protocols next_generation_KIC noe_assignment nonideal_rtmin number_of_residuetypes oligourea_design oligourea_predict oop_design peptiderive per_residue_solvent_exposure pertmin pocket_relax polyaramid_test_trivial ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG range_relax_w_cst relax_w_allatom_cst remodel_helical_repeat repack_with_elec_dens resource_database_locator restype_converter rna_denovo_RNP_low_res rna_denovo_RNP_refine_native rna_denovo_dna_bridge rosetta_scripts_loops score_only_silence sdf_reader set_torsion simple_cycpep_predict_angle simple_cycpep_predict_anglelength simple_cycpep_predict_bondangle_bondlength simple_cycpep_predict_cartesian simple_cycpep_predict_cispro simple_cycpep_predict_cterm_isopeptide_lariat simple_cycpep_predict_cterm_isopeptide_lariat_tailless simple_cycpep_predict_design simple_cycpep_predict_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_peptoid simple_cycpep_predict_setting simple_cycpep_predict_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails simple_cycpep_predict_tma simple_metric_cache simple_metric_features simple_metric_filter simple_metrics 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_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 supercharge surface_docking swa_protein_CCDclose swa_protein_build_at_Cterminus swa_protein_build_at_Nterminus swa_protein_combine_loops swa_protein_loop_sampler swm_beta_peptide_loop swm_protein_CCDmove swm_protein_from_scratch swm_protein_loop_sampler swm_protein_move_inside_coiledcoil_by_bond swm_protein_move_inside_helix_by_bond symm_disulfidize symm_rotamer_boltzmann symmetric_docking tcrmodel test_computed_saxs_spectrum threefold_symm_peptide_design torsion_restricted_sampling vip voids_penalty_energy_design voids_penalty_energy_design_symmetry zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup
Test: linux.clang.tensorflow.integration.tensorflow

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

Failed sub-tests (click for more details):
AnchoredDesign AnchoredPDBCreator FloppyTail KIC_refine KIC_vicinity KIC_with_fragments ModifyVariantTypeMover SnugDock abinitio antibody_H3 antibody_H3_camelid assemble_domains_jd2 autosetup_metals_centroid broker burial_measure_centroid buried_unsat_voids_hbnet_design c-term_conjugation ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom combine_silent contactMap crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal 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 d_workflow database_md5 density_denovo density_refine density_refine_symm disulfidize_beta_cys docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_low_res docking_site_constraints enumerative_sampling extract_pdbs fiber_diffraction fiber_diffraction_fad fixbb fold_and_dock fold_from_loops genkic_bin_perturbing genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling helical_bundle_predict helical_bundle_predict_skipping_residues helix_from_sequence homodimer_fnd_ref2015_memb hotspot_hashing hybridization inverse_rotamer_remodel kinematic_looprelax loop_hash loop_modeling membrane_abinitio metalloprotein_abrelax mirror_symm mp_dock mp_domain_assembly mp_domain_assembly_FtsQ mp_symdock mr_protocols next_generation_KIC noe_assignment number_of_residuetypes per_residue_solvent_exposure relax_w_allatom_cst remodel remodel_disulfides remodel_helical_repeat restype_converter rna_denovo_RNP_low_res rna_denovo_RNP_refine_native rna_denovo_dna_bridge rosetta_scripts_loops score_only_silence set_torsion symm_disulfidize symmetric_docking tcrmodel test_computed_saxs_spectrum threefold_symm_peptide_design torsion_restricted_sampling voids_penalty_energy_design voids_penalty_energy_design_symmetry zinc_heterodimer zinc_homodimer_setup