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Revisions №57650

branch: master 「№57650」
Commited by: Yuan Liu
GitHub commit link: 「e65b8312598418da」 「№321」
Difference from previous tested commit:  code diff
Commit date: 2015-02-28 17:03:14

Merge pull request #321 from RosettaCommons/centroid_rotamer Update Centroid Rotamer Model all unittest passed integration test change expected (new score term info only): abinitio fold_cst_new hybridization metalloprotein_abrelax mr_protocols 1. Add "sin" correction for dunbrack lib (internal coordinates to cartesian coordinates) 2. Optimize score weights (pair, env, ss) using Mike's 80 decoysets discrimination score (lower the better): -- score12: -0.11 -- centroid: 0.0 -- cenrot: -0.09 3. Identify rotamers using density based clustering method, optimize score weights (vdw, dun) using Dunbrack's 379 set rotamer recovery rate (within 40 degree) -- bfactor< 30: 84.46% -- bfactor< 30 and nbr > 16: 86.94% 4. Optimize reference energy using HQi54 set with optE sequence recovery rate: 25.5%

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