Package | Description |
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org.openscience.cdk.config | |
org.openscience.cdk.modeling.builder3d |
Modifier and Type | Method and Description |
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IAtomType |
AtomTypeFactory.getAtomType(String identifier)
Get an AtomType with the given ID.
|
Modifier and Type | Method and Description |
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IAtom |
ForceFieldConfigurator.configureMM2BasedAtom(IAtom atom,
String hoseCode,
boolean hetRing)
Configures an atom to a mm2 based atom type
|
IAtom |
ForceFieldConfigurator.configureMMFF94BasedAtom(IAtom atom,
String hoseCode,
boolean isInHetRing)
Configures an atom to a mmff94 based atom type
|
IAtomContainer |
ModelBuilder3D.generate3DCoordinates(IAtomContainer molecule,
boolean clone)
Generate 3D coordinates with force field information.
|
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