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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

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

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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

beautifying

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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.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

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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