Merge pull request #979 from RosettaCommons/vmullig/symmgly_mintests
Add unit tests for minimization of mirrored poses
Tasks:
- [x] Add unit test for symmetric glycine minimization (with the --symmetric_gly_tables flag).
- [x] Add unit test for minimization of mirrored D/L amino acid poses.
- [x] Debug p_aa_pp.
- [x] Debug dslf_fa13.
This pull request does fix a bug in minimization of D-amino acids with p_aa_pp: the derivatives for the p_aa_pp score term were not being calculated properly for D-amino acids.
The following integration tests fail. All failures are expected, due to change to p_aa_pp minimization with D-residues:
- simple_cycpep_predict
- simple_cycpep_predict_symm_gly
- d_workflow
- dcys_disulfidize