「view this page in B3 βῆτα server」

Revisions №59002

branch: master 「№59002」
Commited by: Labonte
GitHub commit link: 「87d6068463afe8c8」 「№1635」
Difference from previous tested commit:  code diff
Commit date: 2016-10-10 13:36:54

Merge pull request #1635 from RosettaCommons/JWLabonte/sugars/scoring Carbohydrates: Updating sugar_bb term to score additional linkage types This merge introduces two new CHI Energy Functions (from http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00834) to the `sugar_bb` scoring term for the scoring of exocyclic ψ angles. It also adds two simple parabolic functions to the `sugar_bb` term for the scoring of exocyclic ωs, depending on whether the gauche effect is in play or not. These changes should improve the scoring of sugars. This merge also refactors some lengthy code to remove code duplication, adds some C++11 simplifications, and has fixed several silent bugs. A whole bunch of integration and unit tests were added. carbohydrates, vancomycin, and simple_glycosylation integration test changes are expected.