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Revisions №60070

branch: master 「№60070」
Commited by: Vikram K. Mulligan
GitHub commit link: 「8f6a366c708cb747」 「№2975」
Difference from previous tested commit:  code diff
Commit date: 2018-02-23 05:46:13

Merge pull request #2975 from RosettaCommons/vmullig/fa_dun_ncaa_mirror_scoring_hotfix Fixing a *very* subtle bug introducing minor asymmetry in NCAA fa_dun scoring When I wrote the Voronoi-based well assignment code for the NCAA fa_dun scoring, I introduced a small bug: for mirror-image types (_e.g._ D-amino acids), I was forgetting to flip the mainchain torsion values when figuring out which backbone bin I was in. This meant that the boundaries between rotamer wells could be very slightly out of place. I discovered this in the peptoids branch, since it becomes most apparent in types in which the rotamer well centres change most with backbone torsion value changes. This pull request fixes the problem.