Hi all, I am using SmilesGenerator in CDK 1.0.3 with setUseAromatiticyFlag(true). For aromatic molecules such as benzene, it always generates c1ccccc1 . This happens if I create my molecule with the input smiles being C1C=CC=CC=1 or c1ccccc1 or c1c=cc=cc=1. Is there a way to generate C1C=CC=CC=1 or c1c=cc=cc=1 or c:1c:c:c:c:c:1 instead?
Thanks, Bala. ------------------------------------------------------------------------- Sponsored by: SourceForge.net Community Choice Awards: VOTE NOW! Studies have shown that voting for your favorite open source project, along with a healthy diet, reduces your potential for chronic lameness and boredom. Vote Now at http://www.sourceforge.net/community/cca08 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
