Uses of Class
org.openscience.cdk.libio.md.MDMolecule
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Packages that use MDMolecule Package Description org.openscience.cdk.libio.md -
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Uses of MDMolecule in org.openscience.cdk.libio.md
Methods in org.openscience.cdk.libio.md that return MDMolecule Modifier and Type Method Description MDMolecule
ChargeGroup. getParentMolecule()
MDMolecule
Residue. getParentMolecule()
Methods in org.openscience.cdk.libio.md with parameters of type MDMolecule Modifier and Type Method Description void
ChargeGroup. setParentMolecule(MDMolecule parentMolecule)
void
Residue. setParentMolecule(MDMolecule parentMolecule)
Constructors in org.openscience.cdk.libio.md with parameters of type MDMolecule Constructor 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.
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