Merge pull request #2773 from RosettaCommons/vmullig/fix_ncaa_rotlibs
Fix major bug in noncanonical rotamer library scoring.
Currently, non-canonical rotamer libraries do not score or minimize properly with `fa_dun`. This pull request aims to find and fix the problem.
Tasks:
- [x] Add unit test for scoring (comparing Leu loaded as a canonical rotamer library _vs._ Leu loaded as a non-canonical rotamer library).
- [x] Correct path to canonical library.
- [x] Add unit test for minimizing (comparing Leu loaded as a canonical rotamer library _vs._ Leu loaded as a non-canonical rotamer library).
- [x] Find the problem. (Nice work, Andy and Adam!)
- [x] Fix it. (Nice work, Andy!)
- [x] Beauty.
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