Pushed Revisions

branch: master 「№61864」
Commited by: Brahm Yachnin
GitHub commit link: 「6318526bd338804e」
Difference from previous tested commit: code diff
Commit date: 2022-04-10 19:58:52

RosettaAI: Setting rosetta_scripts_scripts submodule to latest origin/master version.

branch: master 「№61863」
Commited by: Rocco Moretti
GitHub commit link: 「dc9147dbfa81ce5b」
Difference from previous tested commit: code diff
Commit date: 2022-04-07 11:40:10

branch: master 「№61862」
Commited by: Brian Coventry
GitHub commit link: 「086b8c9e81db973b」「№5948」
Difference from previous tested commit: code diff
Commit date: 2022-04-07 11:30:31

Merge pull request #5948 from RosettaCommons/bcov/lk_dome2 Clang Tidy fix for master

branch: master 「№61861」
Commited by: Davide Sala
GitHub commit link: 「d95c9420af12eca7」「№5934」
Difference from previous tested commit: code diff
Commit date: 2022-04-07 02:56:27

Merge pull request #5934 from RosettaCommons/davidesala/fixing_deerio fixing DEERIO.cc, bug prevented the usage of epr_deer_score E term

branch: master 「№61860」
Commited by: Brian Coventry
GitHub commit link: 「41526019155db8ff」「№5819」
Difference from previous tested commit: code diff
Commit date: 2022-04-04 13:54:15

Merge pull request #5819 from RosettaCommons/bcov/lk_dome1 lk_dome energy for water interaction

branch: master 「№61859」
Commited by: Guangfeng Zhou
GitHub commit link: 「8039992a6678fbfc」「№5689」
Difference from previous tested commit: code diff
Commit date: 2022-03-30 13:24:37

Merge pull request #5689 from RosettaCommons/guangfeng/galiganddock_update2 GALigandDock update

branch: master 「№61858」
Commited by: Jack Maguire
GitHub commit link: 「61cfbc7a9fdb00b7」「№5921」
Difference from previous tested commit: code diff
Commit date: 2022-03-23 22:24:03

Merge pull request #5921 from RosettaCommons/JackMaguire/QOLSeleFuncs This PR lets you call selector.selection_positions( pose ) directly to get a list of selected resids. I also added the equivalent feature for JumpSelectors Thanks Jared for the review!

branch: master 「№61857」
Commited by: Jack Maguire
GitHub commit link: 「c8ed9746cc77609b」「№5918」
Difference from previous tested commit: code diff
Commit date: 2022-03-21 19:45:22

Merge pull request #5918 from RosettaCommons/JackMaguire/JumpForResidueCtor Quality-of-life constructor for JumpForResidue jump selector

branch: master 「№61856」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「c8ac1099370341d2」「№5909」
Difference from previous tested commit: code diff
Commit date: 2022-03-21 16:54:47

Merge pull request #5909 from RosettaCommons/aleaverfay/fix_lr_bg_energy_accum_in_pack_daemon Fixing a bug in MSD background long-range energy calc; only affected multistate design runs. Previously, long range two body energies for pairs of background residues were not being accumulated into the background_energies_ which would lead to 1) inaccurate representation of total energies of the states that were being repacked and 2) a significant delta between those states and poses that were not being packed at all. This affected both the disulfide and rama_prepro terms.

Andrew Leaver-Fay 3 years
I've spent all evening trying to figure this out, but as far as I can tell, the last time the rosetta_scripts_scripts submodule changed was with your commit 3 days ago, Vikram, which looks intentional. https://github.com/RosettaCommons/main/commit/6b86053d25f8a318b4752cea116bffdd08982ec5

branch: master 「№61855」
Commited by: Vikram K. Mulligan
GitHub commit link: 「a4d79705213bc2ac」「№5916」
Difference from previous tested commit: code diff
Commit date: 2022-03-20 21:59:37

Merge pull request #5916 from RosettaCommons/vmullig/fix_new_macos_errors Fix issues flagged by latest clang on MacOS The new version of clang on MacOS flags a bunch of issues in the code. Fixing these so that I can finish pull request #5915.

branch: master 「№61854」
Commited by: Andy Watkins
GitHub commit link: 「ca41db89f4a9d7b6」「№5917」
Difference from previous tested commit: code diff
Commit date: 2022-03-19 18:35:01

Merge pull request #5917 from RosettaCommons/everyday847/update_stepwise_docs Update to stepwise docs; submodule bump

branch: master 「№61853」
Commited by: Vikram K. Mulligan
GitHub commit link: 「fee054287611aef6」「№5914」
Difference from previous tested commit: code diff
Commit date: 2022-03-18 17:28:53

Merge pull request #5914 from RosettaCommons/revert-5573-vmullig/citation_info_in_docs Temporarily revert "Ensure that the CitationManager exports citation information in the auto-generated documentation" Reverts RosettaCommons/main#5573 This PR created the following problems: - Unit tests time out on older hardware. - Profile tests use more memory. Both are likely due to some subset of movers, filters, etc. loading large amounts of data on instantiation (since all movers, filters, etc. are now instantiated once during XSD generation). This likely needs to be fixed before re-merging this. @JackMaguire @roccomoretti

branch: master 「№61852」
Commited by: Adam Moyer, PhD
GitHub commit link: 「c2f79e4cb0e23094」「№5836」
Difference from previous tested commit: code diff
Commit date: 2022-03-16 15:20:59

Merge pull request #5836 from RosettaCommons/atom-moyer/align_reference_atom_ids Atom moyer/align reference atom ids

branch: master 「№61851」
Commited by: Sergey Lyskov
GitHub commit link: 「512e58946eaed9de」
Difference from previous tested commit: code diff
Commit date: 2022-03-13 13:42:04

branch: master 「№61850」
Commited by: Brahm Yachnin
GitHub commit link: 「9907e74b22a2c9bb」「№5888」
Difference from previous tested commit: code diff
Commit date: 2022-03-08 23:17:49

Merge pull request #5888 from RosettaCommons/BYachnin/add_setters_for_sheettopology_helixkink Add getters and setters to HelixKinkFilter and SheetTopologyFilter These classes have very little in the way of getters and setters to access and modify member data. This makes it tricky to use natively in PyRosetta without XML parsing. This PR simply adds getters and setters to the classes. Thanks Vikram for the review.

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

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

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