Uses of Class
ffx.potential.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
Modifier 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
Modifier and TypeMethodDescriptionstatic AssemblyState
AssemblyState.copyState
(AssemblyState state) Copies an AssemblyState.Modifier and TypeMethodDescriptionstatic AssemblyState
AssemblyState.copyState
(AssemblyState state) Copies an AssemblyState.