Uses of Interface
ffx.algorithms.Terminatable
Packages that use Terminatable
Package
Description
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The X-ray package implements support for X-ray and Neutron refinement.
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Uses of Terminatable in ffx.algorithms.dynamics
Classes in ffx.algorithms.dynamics that implement TerminatableModifier and TypeClassDescriptionclass
Run NVE, NVT, or NPT molecular dynamics.class
Runs Molecular Dynamics using OpenMM implementationclass
The PhReplicaExchange implements pH replica exchange.class
The ReplicaExchange implements temperature and lambda replica exchange methods. -
Uses of Terminatable in ffx.algorithms.optimize
Classes in ffx.algorithms.optimize that implement TerminatableModifier and TypeClassDescriptionclass
Minimize the energy of a system to an RMS gradient per atom convergence criteria.class
Minimize the potential energy of a system to an RMS gradient per atom convergence criteria.class
Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy.class
Minimize the potential energy of a system to an RMS gradient per atom convergence criteria.class
Optimize protein side-chain conformations and nucleic acid backbone conformations using rotamers. -
Uses of Terminatable in ffx.algorithms.optimize.anneal
Classes in ffx.algorithms.optimize.anneal that implement TerminatableModifier and TypeClassDescriptionclass
Run NVT molecular dynamics at a series of temperatures to optimize a structure. -
Uses of Terminatable in ffx.xray
Classes in ffx.xray that implement TerminatableModifier and TypeClassDescriptionclass
Refinement minimization class usingOptimizationListener
interface, constructs aRefinementEnergy
object for this purposeclass
ScaleBulkMinimize class.class
SigmaAMinimize class.class
SplineMinimize class.