parse.smiles {rcdk} | R Documentation |
This function parses a SMILES string to generate an
IAtomContainer
object. Note that the resultant molecule will
not have any 2D or 3D coordinates.
parse.smiles(smiles)
smiles |
A SMILES string |
A jobjRef
to a CDK IAtomContainer
object
Rajarshi Guha (rguha@indiana.edu)