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Revisions №59230

branch: master 「№59230」
Commited by: Rocco Moretti
GitHub commit link: 「563880bb374a329f」 「№1958」
Difference from previous tested commit:  code diff
Commit date: 2017-01-19 10:20:23

Merge pull request #1958 from RosettaCommons/roccomoretti/chifix ICOOR/CHI correspondence fixes There's an implicit assumption in ResidueType that the two terminal bonds of a chi are situated along the ICOOR tree. We get that right most of the time, but there's a couple of examples where it doesn't quite work. This PR adds a check during finalize() to make sure things are set up appropriately w/r/t CHI and ICOORD trees. It also fixes some of the existing params files which don't get things correct, as well as the SDF/CIF loading code which was ignoring the issue. Trajectory changes to pna and vancomycin integration tests expected: these use params files that changed.

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