Merge pull request #76 from RosettaCommons/nollikai/CoupledMover
Adding CoupledMover to protocols/simple_moves
Created a new mover that performs coupled side chain / backbone moves. For ligands, this mover performs a rigid body rotation and translation coupled with ligand rotamer optimization. This mover currently uses ShortBackrubMover for backbone moves, BoltzmannRotamerMover for side chain and ligand rotamer moves and RigidBodyPerturberMover for rigid body moves. This mover is compatible with PackerTasks that allow positions to be designed, making it easy to incorporate backbone flexibility into sequence design. Since ligand moves can also be performed, this mover is particularly useful for the design of ligand binding sites. In the near future I will commit a protocol that uses this mover to predict the set of tolerated sequences for a given design problem by keeping track of all the sequences that are accepted during a Monte Carlo simulation.