Uses of Class
ffx.potential.AssemblyState
Packages that use AssemblyState
Package
Description
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
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Uses of AssemblyState in ffx.algorithms.optimize
Methods in ffx.algorithms.optimize that return types with arguments of type AssemblyStateModifier and TypeMethodDescriptionConformationScan.getStates()
TorsionSearch.getStates()
List of states in order of lowest to highest energy.ConformationScan.getStatesAroundAverage
(double averageE, double radialCutoff) ConformationScan.getStatesFilteredByRMSD
(double rmsdCutoff) ConformationScan.getStatesWithinEnergy
(double energy) -
Uses of AssemblyState in ffx.potential
Methods in ffx.potential that return AssemblyStateModifier and TypeMethodDescriptionstatic AssemblyState
AssemblyState.copyState
(AssemblyState state) Copies an AssemblyState.Methods in ffx.potential with parameters of type AssemblyStateModifier and TypeMethodDescriptionstatic AssemblyState
AssemblyState.copyState
(AssemblyState state) Copies an AssemblyState.