Uses of Class
ffx.xray.RefinementEnergy
Package
Description
The Real Space CLI package defines options for PicoCLI command line scripts.
The X-ray package implements support for X-ray and Neutron refinement.
The X-ray CLI package defines options for PicoCLI command line scripts.
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Uses of RefinementEnergy in ffx.realspace.cli
Modifier and TypeMethodDescriptionRealSpaceOptions.toRealSpaceEnergy
(List<String> filenames, MolecularAssembly[] molecularAssemblies) Process input from opened molecular assemblies to a RefinementEnergy -
Uses of RefinementEnergy in ffx.xray
Modifier and TypeMethodDescriptionRefinementMinimize.minimize()
minimize assuming an eps of 1.0 and Integer.MAX_VALUE cyclesRefinementMinimize.minimize
(double eps) minimize assuming Integer.MAX_VALUE cyclesRefinementMinimize.minimize
(double eps, int maxiter) minimize with input eps and cyclesRefinementMinimize.minimize
(int maxiter) minimize assuming an eps of 1.0 and limited cyclesRefinementMinimize.minimize
(int m, double eps, int maxiter) minimize with input cycles for matrix conditioning, eps and cycles -
Uses of RefinementEnergy in ffx.xray.cli
Modifier and TypeMethodDescriptionXrayOptions.toXrayEnergy
(DiffractionData diffractionData) Process input from opened molecular assemblies and diffraction data to a RefinementEnergy.