Package org.openscience.cdk.smiles

package org.openscience.cdk.smiles

Related Packages

Package	Description
org.openscience.cdk
org.openscience.cdk.smiles.smarts

Classes

Class	Description
CxSmilesGenerator
DeduceBondSystemTool	Deprecated. Use the newer Kekulization
FixBondOrdersTool	Deprecated. use Kekulization
InvPair	This is used to hold the invariance numbers for the canonical labeling of IAtomContainers.
SmiFlavor	Flags for customising SMILES generation.
SmilesGenerator	SMILES [Weininger, David. Journal of Chemical Information and Computer Sciences. 1988. 28, Weininger, David et. al.. Journal of Chemical Information and Computer Sciences. 1989. 29] provides a compact representation of chemical structures and reactions.
SmilesParser	Read molecules and reactions from a SMILES [?Authors?, SMILES Tutorial] string.