Package org.openscience.cdk.inchi

package org.openscience.cdk.inchi

Related Packages

Package	Description
org.openscience.cdk

Classes

Class	Description
InChIGenerator	This class generates the IUPAC International Chemical Identifier (InChI) for a CDK IAtomContainer.
InChIGeneratorFactory	Factory providing access to InChIGenerator and InChIToStructure.
InChIToStructure	This class generates a CDK IAtomContainer from an InChI string or an AuxInfo string.