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Revisions №56566

branch: master 「№56566」
Commited by: wendao
GitHub commit link: 「e7bde0e286f05ddb」
Difference from previous tested commit:  code diff
Commit date: 2014-03-23 03:02:34

Updating Centroid Rotamer (cenrot) Model 1. reweight pair and pair_ang by env dependency 2. refined rotamer cluster, new cenrot dunbrack lib 3. cbeta term for cenrot 4. bigger vdw radii for minimizing 5. updating unit test 6. minor bug fixing for compiling others: Adding more parameters for cart_bonded term Hack in CartesianMinimizerMap, use RB1 to mark single atom vdw term can load more than one atom_vdw.txt Unit test all passed 53 ingegration test changes found 12 of them due to the cart_bonded term or new cenrot weights file FAIL nonideal_rtmin FAIL mr_protocols FAIL hybridization FAIL fold_cst_new FAIL metalloprotein_abrelax FAIL abinitio FAIL splice_seq_constraint FAIL repack_with_elec_dens FAIL minimize_with_elec_dens FAIL features_database_schema FAIL symmetry_multicomponent 2 of them just failed as ref (missing weights file?) FAIL splice_out FAIL splice_in others are minor numeric changes due to adding new cenrot_cbeta term

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