Uses of Interface
ffx.algorithms.mc.MCMove
Packages that use MCMove
Package
Description
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
The manybody package implements many-body rotamer optimization infrastructure,
including distance matrices, an energy expansion (self, two-body, three-body,
and four-body), Dead-end elimination criteria, Goldstein elimination criteria,
and supporting data structures for efficient optimization.
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Uses of MCMove in ffx.algorithms.mc
Classes in ffx.algorithms.mc that implement MCMoveModifier and TypeClassDescriptionclassDefine an MC move to update lambda.classUse MD as a coordinate based MC move.classRepresents a random chi[0] spin of the target residue.classRepresents a Boltzmann-drawn spin of all residue torsions for use with RosenbluthCBMC (Configurational-Bias Monte Carlo).Methods in ffx.algorithms.mc with parameters of type MCMoveModifier and TypeMethodDescriptionbooleanCalculates the current system energy and performs an MCMove.booleanPerforms an MCMove.booleanCalculates the current system energy and performs an MCMove.booleanPerforms an MCMove.Method parameters in ffx.algorithms.mc with type arguments of type MCMoveModifier and TypeMethodDescriptionbooleanCalculates the current system energy and performs a series of moves sequentially as a single hybrid step.booleanPerforms a series of moves sequentially, as a single hybrid step.booleanCalculates the current system energy and performs a series of moves sequentially as a single hybrid step.booleanPerforms a series of moves sequentially, as a single hybrid step. -
Uses of MCMove in ffx.algorithms.optimize.manybody
Classes in ffx.algorithms.optimize.manybody that implement MCMoveModifier and TypeClassDescriptionclassThis implements single-rotamer changes in the framework of the rotamer energy matrices.