Package | Description |
---|---|
org.openscience.cdk.libio.md |
Modifier and Type | Method and Description |
---|---|
MDMolecule |
ChargeGroup.getParentMolecule() |
MDMolecule |
Residue.getParentMolecule() |
Modifier and Type | Method and Description |
---|---|
void |
ChargeGroup.setParentMolecule(MDMolecule parentMolecule) |
void |
Residue.setParentMolecule(MDMolecule parentMolecule) |
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.
|
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