Uses of Class
ffx.potential.bonded.ResidueState
Packages that use ResidueState
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
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Uses of ResidueState in ffx.potential.bonded
Fields in ffx.potential.bonded declared as ResidueStateModifier and TypeFieldDescriptionRotamer.originalState
Residue state used to initialize the rotamer.Methods in ffx.potential.bonded that return ResidueStateModifier and TypeMethodDescriptionstatic ResidueState[]
ResidueState.storeAllCoordinates
(Residue[] residues) storeAllCoordinates.static ResidueState[]
ResidueState.storeAllCoordinates
(List<Residue> residueList) storeAllCoordinates.MultiResidue.storeState()
storeState.Residue.storeState()
storeState.Methods in ffx.potential.bonded with parameters of type ResidueStateModifier and TypeMethodDescriptiondouble
ResidueState.compareTo
(ResidueState residueState) static void
ResidueState.revertAllCoordinates
(List<Residue> residueList, ResidueState[] states) revertAllCoordinates.void
MultiResidue.revertState
(ResidueState state) void
Residue.revertState
(ResidueState state) revertState.Constructors in ffx.potential.bonded with parameters of type ResidueStateModifierConstructorDescriptionRotamer
(AminoAcidUtils.AminoAcid3 aminoAcid3, ResidueState residueState, double... values) Constructor for Rotamer.Rotamer
(AminoAcidUtils.AminoAcid3 aminoAcid3, ResidueState residueState, TitrationUtils titrationUtils, double... values) Constructor for Rotamer.Rotamer
(NucleicAcidUtils.NucleicAcid3 nucleicAcid3, ResidueState residueState, double... values) Constructor for Rotamer.Rotamer
(NucleicAcidUtils.NucleicAcid3 nucleicAcid3, ResidueState residueState, TitrationUtils titrationUtils, double... values) Constructor for Rotamer.Rotamer
(ResidueState residueState, double... values) Constructor for unknown residue types.Rotamer
(ResidueState residueState, TitrationUtils titrationUtils, double... values) Constructor for unknown residue types.