Uses of Class
ffx.potential.parameters.TitrationUtils

Packages that use TitrationUtils

Package	Description
ffx.potential.bonded	The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions, etc.
ffx.potential.extended	The Extended package is progress toward support for constant pH molecular dynamics using extended system variables (i.e. lambda dynamics on protonation).

Uses of TitrationUtils in ffx.potential.bonded

Methods in ffx.potential.bonded that return TitrationUtils

Modifier and Type	Method	Description
TitrationUtils	Residue.getTitrationUtils()

Methods in ffx.potential.bonded with parameters of type TitrationUtils

Modifier and Type	Method	Description
static Rotamer[]	Rotamer.defaultRotamerFactory(Residue residue, TitrationUtils titrationUtils)	Factory method to construct an original-coordinates Rotamer from a residue.
Rotamer[]	RotamerLibrary.getRotamers(AminoAcidUtils.AminoAcid3 name, TitrationUtils titrationUtils)	Return an array of Rotamers for the given amino acid.
void	Residue.setTitrationUtils(TitrationUtils titrationUtils)

Constructors in ffx.potential.bonded with parameters of type TitrationUtils

Modifier	Constructor	Description
	Rotamer(AminoAcidUtils.AminoAcid3 aminoAcid3, ResidueState residueState, TitrationUtils titrationUtils, double... values)	Constructor for Rotamer.
	Rotamer(AminoAcidUtils.AminoAcid3 aminoAcid3, TitrationUtils titrationUtils, double... values)	Constructor for Rotamer.
	Rotamer(AminoAcidUtils.AminoAcid3 aminoAcid3, TitrationUtils titrationUtils, int rotIndex, double... values)
	Rotamer(NucleicAcidUtils.NucleicAcid3 nucleicAcid3, ResidueState residueState, TitrationUtils titrationUtils, double... values)	Constructor for Rotamer.
	Rotamer(ResidueState residueState, TitrationUtils titrationUtils, double... values)	Constructor for unknown residue types.

Uses of TitrationUtils in ffx.potential.extended

Methods in ffx.potential.extended that return TitrationUtils

Modifier and Type	Method	Description
TitrationUtils	ExtendedSystem.getTitrationUtils()