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Revisions №57589

branch: master 「№57589」
Commited by: Andy Watkins
GitHub commit link: 「890fd84254eee477」
Difference from previous tested commit:  code diff
Commit date: 2015-02-09 07:28:50

Completed merge of general backbone rotamer libraries. So basically, now we can make rotamer libraries of up to five backbone dihedrals. (That many should be rarely necessary, and I would suggest going pretty sparse on the bins if you need four or five, seeing as a 10 degree bin rotlib for beta-3-arginine, for example, is quite large.) But this way we can have a much better representation of non-alpha-AA rotamers, so that's pretty nice. Moreover, this makes it possible to use talaris to score beta amino acids properly (instead of highly approximately) which is very nice for the Mulligan Army. Some integration tests are expected for long enough trajectories. ALF and I have confirmed that they are just floating point issues and thus can be disregarded.

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