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Revisions №58459

branch: master 「№58459」
Commited by: Vikram K. Mulligan
GitHub commit link: 「3f65e03a263490d2」 「№1064」
Difference from previous tested commit:  code diff
Commit date: 2016-02-13 03:22:32

Merge pull request #1064 from RosettaCommons/vmullig/nicer_conect_behaviour2 XRW -- Make dumping of CONECT records default for noncanonicals/nonsolvent This changes the default behaviour of CONECT records in PDB files, dumping them for all noncanonicals by default (the PDB standard). Unfortunately, this is another one that changes a lot of integration tests. Details: - [x] Turn CONECT record writing on by default. - [x] Set default distance cutoff to 0. - [x] Add concept of CANONICAL_AA to database. - [x] Add concept of CANONICAL_NUCLEIC to database. - [x] Add concept of SOLVENT to database. - [x] Add logic to only write internal bonds if the current residue is not a CANONICAL_AA, CANONICAL_NUCLEIC, or SOLVENT. - [x] Add logic to only write inter-residue bonds if one of the residues involved is not a CANONICAL_AA, CANONICAL_NUCLEIC, or SOLVENT. - [x] Add option to dump <i>all</i> CONECT records if one so wishes. - [x] Add option to prevent CONECT record dumping, if one so wishes. - [x] Documentation. This is part of the 2016 Chemical XRW. It should be tested and merged AFTER pull request #1060 and AFTER pull request #1066.

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