Merge pull request #488 from RosettaCommons/jkleman/mp-goodies
Jkleman/mp goodies
= added function split_topology_by_jump_noshift that doesn't shift the output topology, added unit test for this function
= bugfix in InterchainPotential that comes from virtual residues
= fixed std::out to tracer output in AddMembrane and membrane framework
= FlipMover:
* added option for random flip angle
* added unit test
= TiltMover:
* added Mover and unit test
* Tilts the downstream partner to/from the upstream partner in the membrane
= OptimizeMembranePositionMover:
* added Mover and unit test
* uses highres smooth score function to optimize membrane center and normal
* uses deterministic search, moving the protein through the membrane (+/- 10 A from initial center) and tilts the membrane planes +/- 45 degrees from initial normal in each direction
= SpinAroundPartnerMover:
* added Mover and unit test
* spins the downstream partner around the upstream partner in the membrane
= MPDockingSetup:
* fixed chain issue from before and added integration test
= MPDockingMover: added option for running lowres and highres, specified in constructor
= DockingInitialPerturbation:
* added variable stepsize for membrane proteins, which depends on the distance between the partners => much faster than 1.0 A stepsize
= MPFindInterfaceMover:
* added mover, integration test, pilot app and documentation (internal)
* pilot app is jkleman/mp_find_interface.cc
* this is for global docking in the membrane and runs lightening fast :)
= MPQuickRelaxMover:
* added mover, integration test, pilot app and documentation (internal)
* pilot app is jkleman/mp_quick_relax
* simplest relax which is lightening fast compared to FastRelax
* single model for 1000 residue protein is created in 10-15 mins, for 80 residues in ~60 seconds
= MPMutateRelaxMover:
* added mover, integration test, pilot app and documentation (internal)
* pilot app is jkleman/mp_mutate_relax
* makes a mutation and run MPQuickRelax
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unit tests pass
integration test changes: expected (mpdock and mpdock_prepack are fine, the rest are tracers)