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branch: master 「№61992」
Commited by: Sergey Lyskov
GitHub commit link: 「5e95ffc8e46bc4eb」 「№6371」
Difference from previous tested commit:  code diff
Commit date: 2023-03-28 17:22:55
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python36.PyRosetta.unit m1.clang.python310.PyRosetta.unit m1.clang.python38.PyRosetta.unit m1.clang.python39.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit ubuntu-20.04.clang.python39.PyRosetta.unit ubuntu-22.04.clang.python39.PyRosetta.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.build.debug gcc-9.gcc.build.debug icc.icc.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 mac.clang.bcl.build.debug OpenCL ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics gcc-10.gcc.build.release gcc-11.gcc.build.release gcc-9.gcc.build.release static mac.clang.static.build.release torch.gcc.pytorch.python39.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration.valgrind integration performance profile linux.clang.python310.release.PyRosetta.Debug linux.clang.python36.release.PyRosetta.Debug linux.clang.python37.release.PyRosetta.Debug linux.clang.python38.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug mac.clang.python310.release.PyRosetta.Debug mac.clang.python38.release.PyRosetta.Debug mac.clang.python39.release.PyRosetta.Debug linux.clang.python310.release.PyRosetta.MinSizeRel linux.clang.python36.release.PyRosetta.MinSizeRel linux.clang.python37.release.PyRosetta.MinSizeRel linux.clang.python38.release.PyRosetta.MinSizeRel linux.clang.python39.release.PyRosetta.MinSizeRel m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python38.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python38.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python36.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel linux.clang.python310.release.PyRosetta.Release linux.clang.python36.release.PyRosetta.Release linux.clang.python37.release.PyRosetta.Release linux.clang.python38.release.PyRosetta.Release linux.clang.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python38.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python38.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python36.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release release.PyRosetta.conda.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.RosettaCM.debug scientific.abinitio_RosettaNMR_rdc scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_h3_modeling.debug scientific.antibody_h3_modeling scientific.antibody_snugdock.debug scientific.antibody_snugdock scientific.cofactor_binding_sites.debug scientific.cofactor_binding_sites scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.design_fast.debug scientific.docking.debug scientific.docking_ensemble.debug scientific.enzyme_design.debug scientific.enzyme_design scientific.ligand_docking.debug scientific.ligand_docking scientific.ligand_scoring_ranking.debug scientific.ligand_scoring_ranking scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_ccd_12res scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_kic_12res scientific.loop_modeling_kic_fragments_12res.debug scientific.loop_modeling_kic_fragments_12res 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.debug scientific.mp_f19_ddG_of_mutation scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_decoy_discrimination scientific.mp_f19_sequence_recovery.debug scientific.mp_f19_sequence_recovery scientific.mp_f19_tilt_angle.debug scientific.mp_f19_tilt_angle scientific.mp_lipid_acc.debug scientific.mp_lipid_acc scientific.mp_relax.debug scientific.mp_relax scientific.mp_symdock.debug scientific.mp_symdock 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.stepwise_rna_favorites.debug scientific.stepwise_rna_favorites 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-10.gcc.unit gcc-11.gcc.unit gcc-9.gcc.unit m1.clang.python39.unit ubuntu-20.04.clang.python39.unit ubuntu-20.04.gcc.python39.unit ubuntu-22.04.clang.python39.unit ubuntu-22.04.gcc.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #6371 from RosettaCommons/lyskov/pyrosetta-patch-1 PyRosetta, fixing distributed error handling

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking
Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
tensorflow_manager
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: ubuntu.gcc.integration.ubsan

Failed sub-tests (click for more details):
simple_cycpep_predict_square_pyramidal_metal
Test: ubuntu-20.04.clang.python36.scientific.make_fragments.debug

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Test: ubuntu-20.04.clang.python36.scientific.make_fragments

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Test: ubuntu-20.04.clang.python36.scientific.mp_f19_tilt_angle

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Test: ubuntu-20.04.clang.python36.scientific.mp_lipid_acc

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branch: master 「№61991」
Commited by: Jack Maguire
GitHub commit link: 「3a9c5f7ed058f805」
Difference from previous tested commit:  code diff
Commit date: 2023-03-23 09:54:14
PyRosetta.unit aarch64.gcc.python39.build.debug icc.icc.build.debug build.release integration.valgrind linux.clang.python36.release.PyRosetta.Debug linux.clang.python39.release.PyRosetta.Debug scientific.mp_f19_tilt_angle unit.valgrind

beautifying

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Test: linux.clang.python39.release.PyRosetta.Debug

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Test: ubuntu-20.04.clang.python36.scientific.mp_f19_tilt_angle

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branch: master 「№61990」
Commited by: Jack Maguire
GitHub commit link: 「1d8714894eec1dac」 「№6367」
Difference from previous tested commit:  code diff
Commit date: 2023-03-20 21:16:16
scientific.abinitio_RosettaNMR_rdc scientific.mp_f19_tilt_angle scientific.sb_score12_docking

Merge pull request #6367 from RosettaCommons/JackMaguire-cartmd-vrt-fix Remove divide-by-zero in CartesianMD There's a snippet of code in the run_rattle1() function that divides some numbers by the mass of each atom. This PR just adds a check to skip loop iterations where that mass is zero. Thanks Frank for the help and the review!

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Test: ubuntu-20.04.clang.python36.scientific.sb_score12_docking

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branch: master 「№61989」
Commited by: Guangfeng Zhou
GitHub commit link: 「d3ec428cf8656a4a」 「№6365」
Difference from previous tested commit:  code diff
Commit date: 2023-03-17 19:30:17
scientific.mp_f19_tilt_angle

Merge pull request #6365 from RosettaCommons/guangfeng/galiganddock_vsx_update [GALigandDock] Added final ligand only minimization to speed up VSX virtual screening.

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branch: master 「№61988」
Commited by: Marisa Brandys
GitHub commit link: 「8d1aec19846dc56b」 「№6366」
Difference from previous tested commit:  code diff
Commit date: 2023-03-17 19:21:04

Merge pull request #6366 from RosettaCommons/hbeval_fix_mb Updated HBEval such that if the long and short range poly_BAHs listed…

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branch: master 「№61987」
Commited by: Frank DiMaio
GitHub commit link: 「4d4a767023c508b7」 「№6364」
Difference from previous tested commit:  code diff
Commit date: 2023-03-16 16:55:42

Merge pull request #6364 from RosettaCommons/dimaio/relax_disulfide_weirdness Remove disulfide-only packing.

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branch: master 「№61986」
Commited by: Andrew Muenks
GitHub commit link: 「114193e0b7aea4b6」 「№6210」
Difference from previous tested commit:  code diff
Commit date: 2023-03-15 11:34:25

Merge pull request #6210 from RosettaCommons/amuenks/lig_elec_for_merge Amuenks/lig elec for merge

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branch: master 「№61985」
Commited by: Ameya Harmalkar
GitHub commit link: 「fe5f8333f1cbc3d2」 「№6361」
Difference from previous tested commit:  code diff
Commit date: 2023-03-13 07:57:24

Merge pull request #6361 from RosettaCommons/AmeyaHarmalkar/BFactorResidueSelector BFactor dependent residue selector

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branch: master 「№61984」
Commited by: Ameya Harmalkar
GitHub commit link: 「ca6b308f79dc70a9」 「№6360」
Difference from previous tested commit:  code diff
Commit date: 2023-03-08 14:03:54

Merge pull request #6360 from RosettaCommons/AmeyaHarmalkar/BalancedKICMover Detailed Balanced within KIC mover

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branch: master 「№61983」
Commited by: Guangfeng Zhou
GitHub commit link: 「1afa125aa9fb64f6」 「№6358」
Difference from previous tested commit:  code diff
Commit date: 2023-03-03 17:45:10

Merge pull request #6358 from RosettaCommons/guangfeng/galiganddock_vsx_update Guangfeng/galiganddock vsx update

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branch: master 「№61982」
Commited by: Guangfeng Zhou
GitHub commit link: 「a1f2d3a209395359」 「№6354」
Difference from previous tested commit:  code diff
Commit date: 2023-03-02 19:47:53

Merge pull request #6354 from RosettaCommons/guangfeng/galiganddock_vsx_update [GALigandDock] Guangfeng/galiganddock vsx update

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branch: master 「№61981」
Commited by: Guangfeng Zhou
GitHub commit link: 「6d9aa7c077f416fd」 「№6344」
Difference from previous tested commit:  code diff
Commit date: 2023-03-02 19:47:13

Merge pull request #6344 from RosettaCommons/guangfeng/galiganddock_bugfix Fixed some wrong torsion types in database

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branch: master 「№61980」
Commited by: Brian Koepnick
GitHub commit link: 「4388618b1eca659a」 「№5944」
Difference from previous tested commit:  code diff
Commit date: 2023-03-02 10:14:04
scientific.sb_score12_docking

Merge pull request #5944 from RosettaCommons/koepnick/rosetta_protein_mpnn Interface for ProteinMPNN PyTorch model

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Test: ubuntu-20.04.clang.python36.scientific.sb_score12_docking

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branch: master 「№61979」
Commited by: hochshi
GitHub commit link: 「27ba97a7573364da」 「№6330」
Difference from previous tested commit:  code diff
Commit date: 2023-02-08 01:52:26

Merge pull request #6330 from RosettaCommons/ShiHoch/rm_sprintf MacOSX13.1.sdk - 'sprintf' has been explicitly marked deprecated

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branch: master 「№61978」
Commited by: Rhiju Das
GitHub commit link: 「4e1fe78e58f728b4」 「№6329」
Difference from previous tested commit:  code diff
Commit date: 2023-02-05 13:31:30

Merge pull request #6329 from RosettaCommons/rhiju/swm_revisit_jan2023 Stepwise monte carlo hot fix -- should not put fold tree root at site of CCD closure. Three integration tests change; in two cases, seem like problems with the tests (e.g., diffs of time stamps; a fluctuation cmaes_minimizer). Third case of `stepwise_lores` is an acceptable change of fold-tree initated by this fix.

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branch: master 「№61977」
Commited by: Sten Heinze
GitHub commit link: 「36e9db9557dcf781」 「№6328」
Difference from previous tested commit:  code diff
Commit date: 2023-01-31 15:22:36
maintenance.documentation

Merge pull request #6328 from RosettaCommons/stenheinze/daniel_marzolf_hdxenergy [RosettaCommons/main] Stenheinze/daniel marzolf hdxenergy

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Test: linux.clang.maintenance.documentation

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