Merge pull request #5458 from RosettaCommons/vmullig/BB8_rama
Adding Ramachandran lines to BB8 params file.
We weren't quite sure what we should do for the Ramachandran map for phenyl-serine. Options were:
- Phenylalanine's Ramachandran map.
- Threonine's Ramachandran map.
- Generate a Ramahandarn map _de novo_ using:
- MM force fields.
- QM calculations.
Of the _de novo_ options, MM is unlikely to be accurate enough, and QM would be very expensive with the side-chain degrees of freedom (and may not be as accurate as just stealing a statistical potential from a canonical -- even generating an accurate mainchain potential for alanine by QM is hard). Choosing between Phe and Thr, Thr seemed like the better bet since the beta-branching is likely to affect the mainchain conformational preferences more than the aromatic group will.