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Revisions №60291

branch: master 「№60291」
Commited by: Andy Watkins
GitHub commit link: 「06c897a0cb6c70a0」 「№2845」
Difference from previous tested commit:  code diff
Commit date: 2018-07-04 15:49:16

Merge pull request #2845 from RosettaCommons/everyday847/revive_cif_io Revive CIF I/O and fix some big bug classes At final tally, this branch fixes about 8K new PDBs (~1/2 of broken PDBs) and 1K cifs (and thousands of others it moves to a more 'chemically realistic' bug class'). Massive bugfix to `metalloprotein_abrelax` which had been loading in the CCD type `pdb_CYZ` for its centroid_rot phase, and to various enumerative_sampling and related tests that had been loading in `pdb_VRT`. A couple trajectory changes are observed due to floating point issues. Some logfiles change due to spacing alterations in atom names. (Use stripped names in more places -- the RT will always have them in addition to the with-spaces alias, while the CCD residue will ONLY have the stripped version.) Also prevented `PartitionContactScreener` from wiping out protein trajectories -- residues often won't make adjacent-residue contacts in typical (say) cyclic peptides.

Andy Watkins 1 year
I see the broken unit test -- wasn't failing locally because unfortunately I had failed to commit a file. Will be hotfixed in.