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Revisions №61502

branch: master 「№61502」
Commited by: Daniel Farrell
GitHub commit link: 「6c8a8f044a9959e1」
Difference from previous tested commit:  code diff
Commit date: 2020-12-03 12:51:28
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 mac.clang.static.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration.valgrind integration maintenance.documentation performance profile mac.clang.python27.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug mac.clang.python37.release.PyRosetta4.Debug mac.clang.python38.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python38.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python38.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel ubuntu.clang.python38.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release mac.clang.python37.release.PyRosetta4.Release mac.clang.python38.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release ubuntu.clang.python38.release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_h3_modeling.debug scientific.antibody_snugdock.debug scientific.cofactor_binding_sites.debug scientific.cofactor_binding_sites scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.dock_glycans.debug scientific.dock_glycans scientific.docking.debug scientific.docking scientific.enzyme_design.debug scientific.enzyme_design scientific.ligand_docking scientific.ligand_scoring_ranking.debug scientific.ligand_scoring_ranking scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_kic_12res scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_ngk_12res.debug scientific.loop_modeling_ngk_12res scientific.make_fragments.debug scientific.make_fragments scientific.mhc_epitope_energy.debug scientific.mhc_epitope_energy scientific.mp_dock.debug scientific.mp_dock scientific.mp_domain_assembly.debug scientific.mp_domain_assembly scientific.mp_f19_ddG_of_mutation scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_energy_landscape.debug scientific.mp_f19_energy_landscape scientific.mp_f19_sequence_recovery.debug scientific.mp_lipid_acc.debug scientific.mp_lipid_acc scientific.mp_relax.debug scientific.mp_relax scientific.mp_symdock.debug scientific.peptide_pnear_vs_ic50.debug scientific.peptide_pnear_vs_ic50 scientific.protein_data_bank_diagnostic.cif scientific.protein_data_bank_diagnostic.full scientific.relax_cartesian.debug scientific.relax_cartesian scientific.relax_fast.debug scientific.relax_fast_5iter.debug scientific.relax_fast_5iter scientific.relax_fast scientific.rna_denovo_favorites.debug scientific.rna_denovo_favorites scientific.sewing.debug scientific.sewing scientific.simple_cycpep_predict.debug scientific.stepwise_rna_favorites.debug linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release mac.clang.unit.release unit.ubsan unit.valgrind gcc-9.gcc.unit util.apps

Make addVirtualResAsRoot add a residue to its own chain (#5116) I think that this is a reasonable change since it doesn't make sense to have the virtual root in the same chain grouping as the last residue of the pose that you are adding it too. the current implementation is annoying because if you're trying to make sure the pdb_info is is line with experimental data I use pose.chain_sequence(i) to get the polymeric entities, then each are aligned. Adding an X at the end can make this annoying. If this PR breaks a lot -- then I will figure out the corner case in my own code. * Make vrt residue on its own chain * update ssa test

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Test: linux.clang.scientific.ligand_scoring_ranking

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Test: linux.clang.scientific.mhc_epitope_energy

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delta_netcharge_vs_mhc_epitope
Test: linux.clang.scientific.mp_symdock.debug

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