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Classes | Typedefs
protocols::coupled_moves Namespace Reference

Protocol that combines backbone moves and sidechain moves in a single Monte Carlo step. More...

Classes

class  CoupledMovesProtocol
 
class  CoupledMovesProtocolCreator
 

Typedefs

typedef
utility::pointer::shared_ptr
< CoupledMovesProtocol
CoupledMovesProtocolOP
 
typedef
utility::pointer::shared_ptr
< CoupledMovesProtocol const > 
CoupledMovesProtocolCOP
 

Detailed Description

Protocol that combines backbone moves and sidechain moves in a single Monte Carlo step.

CoupledMoves protocol makes use of the simple mover CoupledMover. The CoupledMover apply function makes a single coupled move as follows: (1) Backbone move – As of March 2018, there are three options: backrub, kinematic closure with walking perturber, or kinematic closure with fragment perturber. (2) Side chain move – The three residues at the center of the perturbed backbone are sampled by BoltzmannRotamerMover. (3) Repack – 10A shell around the residues from step 2 is repacked.

CoupledMoves will also move a ligand.

Assumptions:

Typedef Documentation

typedef utility::pointer::shared_ptr< CoupledMovesProtocol const > protocols::coupled_moves::CoupledMovesProtocolCOP