The C1C=CC=CC=1 version should result if you remove the aromaticity flag before writing from all atoms and bonds (and have the molecule properly saturated). Not sure if c:1c:c:c:c:c:1 can be result somehow. Not sure about why this is needed right now anyway. Isn't it sort of redundant? Stefan
> -----Ursprüngliche Nachricht----- > Von: "Bala B K" <[EMAIL PROTECTED]> > Gesendet: 07.07.08 21:31:33 > An: [email protected] > Betreff: [Cdk-user] SmilesGenerator question > 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 > _______________________________________________________________________ Jetzt neu! Schützen Sie Ihren PC mit McAfee und WEB.DE. 30 Tage kostenlos testen. http://www.pc-sicherheit.web.de/startseite/?mc=022220 ------------------------------------------------------------------------- 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
