Package | Description |
---|---|
org.openscience.cdk.depict | |
org.openscience.cdk.smiles |
Modifier and Type | Method and Description |
---|---|
boolean |
Abbreviations.add(String line)
Convenience method to add an abbreviation from a SMILES string.
|
Modifier and Type | Method and Description |
---|---|
IReaction |
SmilesParser.parseReactionSmiles(String smiles)
Parse a reaction SMILES.
|
IAtomContainer |
SmilesParser.parseSmiles(String smiles)
Parses a SMILES string and returns a structure (
IAtomContainer ). |
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