Uses of Class
org.openscience.cdk.libio.md.MDMolecule
Packages that use MDMolecule
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Uses of MDMolecule in org.openscience.cdk.libio.md
Methods in org.openscience.cdk.libio.md that return MDMoleculeMethods in org.openscience.cdk.libio.md with parameters of type MDMoleculeModifier and TypeMethodDescriptionvoid
ChargeGroup.setParentMolecule
(MDMolecule parentMolecule) void
Residue.setParentMolecule
(MDMolecule parentMolecule) Constructors in org.openscience.cdk.libio.md with parameters of type MDMoleculeModifierConstructorDescriptionChargeGroup
(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.