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Revisions №59409

branch: master 「№59409」
Commited by: Frank DiMaio
GitHub commit link: 「f1f12f001f6f5ffb」 「№2125」
Difference from previous tested commit:  code diff
Commit date: 2017-04-14 21:57:32

Merge pull request #2125 from RosettaCommons/dimaio/more_beta_nov16_bugfixes This pull request fixes several minor bugs with beta_nov16 (mostly lk_ball_bridge): 1) The ramp widths for lk_ball_bridge and lk_ball (which are different) were used incorrectly in places, ultimately leading to derivative discontinuities in lk_ball_bridge. Also modifying ramp widths to best match the shape of lk_ball_bridge that was previously used. 2) The heavyatom-heavyatom interaction radius for lk_ball_bridge is a tiny bit larger than that of fa_sol; reusing fa_sol's minimizer graph missed some interactions. Modifying to have lk_ball create its own minimizer graph. 3) countpair was not correctly applied for lk_ball_bridge_uncpl in scoring (but was in packing/minimization) ... this has also been corrected. Also fixed a small countpair inconsistency with lk_ball across non-polymer connections. This change only effects beta_nov16 scoring with one exception: beta_nov15 will report slightly different scores in disulfide-containing structures. This leads to several beta_nov15 integration test failures: disulfidize_beta_cys, genkic_ramaprepro_sampling, simple_cycpep_predict_tbmb, ppi_*

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