Uses of Class
ffx.potential.bonded.RotamerLibrary
Packages that use RotamerLibrary
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Misc package contains a few miscellaneous algorithms.
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
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Uses of RotamerLibrary in ffx.algorithms.cli
Methods in ffx.algorithms.cli that return RotamerLibrary -
Uses of RotamerLibrary in ffx.algorithms.misc
Constructors in ffx.algorithms.misc with parameters of type RotamerLibraryModifierConstructorDescriptionGenerateRotamers
(MolecularAssembly molecularAssembly, Potential potential, Residue residue, File file, int nChi, AlgorithmListener listener, RotamerLibrary library) Intended to create rotamer sets for nonstandard amino acids. -
Uses of RotamerLibrary in ffx.algorithms.optimize
Fields in ffx.algorithms.optimize declared as RotamerLibraryModifier and TypeFieldDescriptionprotected RotamerLibrary
RotamerOptimization.library
RotamerLibrary instance.Methods in ffx.algorithms.optimize with parameters of type RotamerLibrary -
Uses of RotamerLibrary in ffx.potential.bonded
Methods in ffx.potential.bonded that return RotamerLibraryModifier and TypeMethodDescriptionstatic RotamerLibrary
RotamerLibrary.getDefaultLibrary()
getDefaultLibrary.Methods in ffx.potential.bonded with parameters of type RotamerLibraryModifier and TypeMethodDescriptionRotamer[]
MultiResidue.setRotamers
(RotamerLibrary library) Resets the rotamers for this residue, potentially incorporating the original coordinates if RotamerLibrary's original coordinates rotamer flag has been set.Rotamer[]
Residue.setRotamers
(RotamerLibrary library) Resets the rotamers for this residue, potentially incorporating the original coordinates if RotamerLibrary's original coordinates rotamer flag has been set.