Merge pull request #312 from RosettaCommons/rfalford12/rosettamp_updates
Updates to RosettaMP Framework
(1) General membrane Symmetry
= Created SymmetricAddMembraneMover: A subclass of AddMembraneMover that invokes the membrane framework for symmetric poses in protocols/membrane/symmetry
= Added unit test, SymmetricAddMembraneMoverTest, for this Mover
(2) Membrane symmetric docking protocol
= Created MPSymDockMover: General membrane symmetric protein docking mover (previously in a pilot app) in protocols/symmetric_docking/membrane
= membrane_symdocking: Now directly calls MPSymDockMover, located in the protocols library
(3) RosettaScripts Support:
= Added full RosettaScripts support for MPDockingMover, MPDockingSetupMover, SymmetricAddMembraneMover, MPSymDockMover, and SetMembranePositionMover
(4) AddMembraneMover:
= Default membrane position always gets set by SetMembranePositionMover at the end of the AddMembraneMover apply() method
= Added an interface, allowing the user to set the initial center/normal (which actually get set this time!)
= Added better error checking when reading in center and normal xyz Vectors from the command line
= Added new unit tests to check for a user defined or custom set membrane position
(4) MPHbond Flag:
= Removed hbond flag from both score function fingerprint tests: membrane_fa_scorefxn and menv_smooth_sfxn. Behavior remains the same, as this energy term is now automatically turned on when the membrane framework is invoked
Test Changes:
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Unit: All Pass
Integration: Expected Changes
- Symmetric docking has a new set of tracers for each Mover (Symmetric Add & MPSymDock)
- Default SetMembrane prevents -0 from occurring - no numerical difference
Score Regression: Expected Changes
- Default SetMembrane prevents -0 from occurring - no numerical difference