Uses of Class
org.openscience.cdk.libio.md.MDMolecule

Packages that use MDMolecule

Package	Description
org.openscience.cdk.libio.md

Uses of MDMolecule in org.openscience.cdk.libio.md

Methods in org.openscience.cdk.libio.md that return MDMolecule

Modifier and Type	Method and Description
MDMolecule	Residue.getParentMolecule()
MDMolecule	ChargeGroup.getParentMolecule()

Methods in org.openscience.cdk.libio.md with parameters of type MDMolecule

Modifier and Type	Method and Description
void	Residue.setParentMolecule(MDMolecule parentMolecule)
void	ChargeGroup.setParentMolecule(MDMolecule parentMolecule)

Constructors in org.openscience.cdk.libio.md with parameters of type MDMolecule

Constructor and Description
ChargeGroup(IAtomContainer container, int number, MDMolecule parentMolecule) Constructor to create a ChargeGroup based on an AC, a number, and a MDMolecule.
Residue(IAtomContainer container, int number, MDMolecule parentMolecule) Constructor to create a Residue based on an AC, a number, and a MDMolecule.