branch: rosetta:commits 「№20343」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」「872cd9be8」  code diff
Scheduled at: 2024-03-16 17:27:54.728599
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←872cd9be88e92bb7e19eb3a6e3e405537930b818 add support for PyRosetta ML builds ---------------- Merge commit message: add support for `--tensorflow` option

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branch: rosetta:commits 「№20342」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№33」
Merge: 「2c36cbc71」「38ac3d7a1」  code diff
Scheduled at: 2024-03-16 17:15:56.300929
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python312.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python38.PyRosetta.unit linux.clang.cxx11thread.serialization.python39.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №33 RosettaCommons/rosetta/main ← klimaj/rosetta/residue_selectors Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←38ac3d7a137caf2d734773654b58dd54b76057a5 Support python bitwise operators for residue selectors in PyRosetta ---------------- Merge commit message: Add residue selector bindings test suite

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branch: rosetta:commits 「№20341」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№33」
Merge: 「2c36cbc71」「7e1b1d6be」  code diff
Scheduled at: 2024-03-16 16:57:00.274131
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python312.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python38.PyRosetta.unit linux.clang.cxx11thread.serialization.python39.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №33 RosettaCommons/rosetta/main ← klimaj/rosetta/residue_selectors Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←7e1b1d6be174370179c90c4d639a295fcbd5855e Support python bitwise operators for residue selectors in PyRosetta ---------------- Merge commit message: Update comments

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branch: rosetta:commits 「№20340」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」「616793879」  code diff
Scheduled at: 2024-03-15 21:08:02.870751
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←6167938798fbfb86d011d67d26f19e8d28e9a92b add support for PyRosetta ML builds ---------------- Merge commit message: update Binder

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branch: rosetta:commits 「№20339」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」「e99b1292c」  code diff
Scheduled at: 2024-03-15 17:12:30.079972
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←e99b1292c6e9c5b0e74581f73a4c339db8a41453 add support for PyRosetta ML builds ---------------- Merge commit message: add `--torch` option

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branch: rosetta:commits 「№20338」
Commited by: moritzertelt
GitHub Pull Request link: 「№26」
Merge: 「2c36cbc71」「d210bd3ee」  code diff
Scheduled at: 2024-03-12 10:16:26.269019
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit linux.clang.tensorflow.build.debug mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.beautify code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №26 RosettaCommons/rosetta/main ← MoritzErtelt/rosetta/SamplingModification Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←d210bd3ee7216d7c15fc1ad4c3f8fc0e526d91dd QOL update to the PerResidueEsmProbabilitiesMetric ---------------- Merge commit message: Quality of life updates including: Citation for ESM, Softmax and Perplexity numerical stability by checking for Inf and NaNs, typos

Rosetta Benchmark 8 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №26 was submitted!
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Test: linux.gcc.code_quality.beautification

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Test: linux.gcc.cxx11thread.integration.thread

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database_md5


branch: rosetta:commits 「№20337」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」「02fcf5a22」  code diff
Scheduled at: 2024-02-28 14:47:14.652815
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←02fcf5a228d92476888c10023b55fa8d2d43dfd0 Crosslinker Mover lanthionine ---------------- Merge commit message: beautifier

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Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5
Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
database_md5


branch: rosetta:commits 「№20336」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「e09da1523」  code diff
Scheduled at: 2024-02-25 14:20:51.881543
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python312.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python38.PyRosetta.unit linux.clang.cxx11thread.serialization.python39.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←e09da15232da4d908b96ec6f8c328a46308556ff Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Fix docstrings and error messages



branch: rosetta:commits 「№20335」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」「4081b0e20」  code diff
Scheduled at: 2024-02-25 11:41:17.697765
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←4081b0e20342da76c87efd8c04ef162a26132ee0 Crosslinker Mover lanthionine ---------------- Merge commit message: fixing terminal AA amgibuouos constraints and simple cycy pep predict thioether making only cis peptide bonds at N terminus

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database_md5
Test: linux.clang.profile

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abinitio build_rotamers relax_native


branch: rosetta:commits 「№20334」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「1c25cd284」  code diff
Scheduled at: 2024-02-24 20:48:40.099021
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.notebook gcc-9.gcc.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python312.PyRosetta.unit linux.clang.cxx11thread.serialization.python37.PyRosetta.unit linux.clang.cxx11thread.serialization.python38.PyRosetta.unit linux.clang.cxx11thread.serialization.python39.PyRosetta.unit linux.clang.python310.PyRosetta.unit linux.gcc.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←1c25cd28448e86e7c056146667ab70b3ad61167f Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Fix docstring

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

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

Failed sub-tests (click for more details):
features
Test: linux.clang.profile

Failed sub-tests (click for more details):
fixbb jd2test relax_native


branch: rosetta:commits 「№20333」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「fd7293ab8」  code diff
Scheduled at: 2024-02-24 17:18:33.674258
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.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←fd7293ab8baca64eedbd4003d2944ac222c8d977 Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Test closing cluster



branch: rosetta:commits 「№20332」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「6fa4dce94」  code diff
Scheduled at: 2024-02-24 16:51:11.761911
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.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←6fa4dce940774a6acc648b9acd8c0b76cdc5c780 Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Refactor class attribute for testing

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Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
features


branch: rosetta:commits 「№20331」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「5c638b41f」  code diff
Scheduled at: 2024-02-24 15:28:23.987507
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.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←5c638b41f95cb57c02c33f2b15e8ec13454fb720 Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Validate min len 1



branch: rosetta:commits 「№20330」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「5d167d977」  code diff
Scheduled at: 2024-02-24 15:23:45.512239
PyRosetta.unit

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←5d167d9778e667044e9d6868b60a4975bed696a5 Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Validate min len for clients attribute for earlier versions of attrs

...


branch: rosetta:commits 「№20329」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№21」
Merge: 「801ac8afe」「46f6ce801」  code diff
Scheduled at: 2024-02-23 12:11:12.738960
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.python312.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 mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile release.PyRosetta.conda.Release linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify ubuntu-20.04.clang.python39.unit ubuntu-22.04.clang.python39.unit util.apps windows.build.debug windows.build.release

Pull Request №21 RosettaCommons/rosetta/main ← klimaj/rosetta/clients Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←46f6ce801e0da4180888ca617a928a99907bd366 Support multiple clients and resource constraints in PyRosettaCluster ---------------- Merge commit message: Update typing



branch: rosetta:commits 「№20328」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№22」
Merge: 「801ac8afe」「49bbd52b5」  code diff
Scheduled at: 2024-02-20 12:30:21.873098
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.pytorch integration.release_debug integration.tensorflow integration.thread integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №22 RosettaCommons/rosetta/main ← roccomoretti/rosetta/cart_bonded_upper_fix Merge: 801ac8afed6e34aa04ae902e835779872ed64f3b←49bbd52b5e4e55f47c1796a923aa4c9ddf173bc1 Fix issue with CartesianBondedEnergy. ---------------- Merge commit message: Fix issue with CartesianBondedEnergy. Calling rsd1.upper_connect() is not well formed if the residue is not an upper connection. CartesianBondedEnergy makes the assumption that if you're not an upper terminus, you have an upper connect. This isn't always the case with more esoteric residues. But if we combine with the is-protein check that is being done anyway, we can avoid the majority of the cases where this may be a problem.



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