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Revisions №60253

branch: master 「№60253」
Commited by: Labonte
GitHub commit link: 「450949e481542459」 「№3258」
Difference from previous tested commit:  code diff
Commit date: 2018-06-13 13:16:10

Merge pull request #3258 from RosettaCommons/JWLabonte/sugars/output Pose IO: Providing option to force Rosetta to assign ligands unique .pdb chainIDs This merge will provide an option, `-output_ligands_as_separate_chains`, that will cause Rosetta to reassign the `.pdb` `chainID` of a ligand when it shares the same `chainID` as one of the peptide chains. Very often in `.pdb` structures, there might be, for example, a homodimeric protein with chains A and B in addition to a cofactors or product molecules, _etc.,_ that are also labeled as chains A and B. Using this option forces Rosetta to output them instead as belonging to separate chains, for example, C, D, _etc._ This new option will _not_ reassign a chain to a PTM, such as glycosylation; that is, saccharide or other residues that are attached covalently to a peptide chain will maintain the same `chainID` as the peptide chain to which they are attached. All tests pass.