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Revisions №126

branch: release 「№126」
Commited by: Vikram K. Mulligan
GitHub commit link: 「4ef4fe7807896995」 「№1913」
Difference from previous tested commit:  code diff
Commit date: 2016-12-23 18:28:31

Merge pull request #1913 from RosettaCommons/vmullig/cycpep_align Add a mover to align a quasi-symmetric peptide to the origin and Z-axis, for true symmetry setup Currently I do this with some manual editing of PDB files, a script, and the minimizer, but a specialized mover could do this more easily and more efficiently. This will be a needed part of the symmetric cyclic peptide design pipeline. Tasks: - [x] Create the mover with Jared's code template scripts. - [x] Register it. - [x] Add options to parse_my_tag() for specifying symmetry. - [x] XSD information for these. - [x] Add length check and symmetry check (with the CycpepSymmetryFilter) to apply() function. - [x] Add origin alignment to apply() function. - [x] Add Z-axis alignment to apply() function. - [x] Ensure above handles non-protein residues properly (ignores them). - [x] Allow auto-detection of symmetry. - [x] In parse_my_tag(). - [x] XSD information. - [x] In apply() function. - [x] Add option to delete all but a selected repeat: - [x] To parse_my_tag(). - [x] XSD information. - [x] To apply() function. - [x] Ensure this deletes non-protein residues like TBMB. (Symmetric versions can be added back after symmetry is set up, using the ThreefoldCrosslinkerMover.) - [x] Document this deletion of non-protein residues. - [x] Unit tests. - [x] Integration test. - [x] Beauty. - [x] Documentation.