Merge pull request #1978 from RosettaCommons/vmullig/tweak_peppred
Adding a final symmetry filtering step to simple_cycpep_predict
When sampling with quasi-symmetry, sometimes the final relaxation step would break symmetry. This adds one more filtration step based on symmetry after that relaxation, so that asymmetric poses are thrown out.
Tasks:
- Add extra filtering step.
- Double-check that BOINC build is still happy.
- I think it is, but I have an older version of the Linux BOINC libraries built. Will check on Ralph the next time that Rosetta is deployed.
- Also, add filtering to bettercluster.cc.
- Add threshold option to bettercluster.cc.
- Beauty.