I use the following...before you draw the molecule, you should detect aromaticity: cdk.aromaticity.HueckelAromaticityDetector.detectAromaticity(mol.Molecule)
- Noel 2008/11/19 Duan Lian <[EMAIL PROTECTED]>: > Hi, > > I was trying to generate image of some aromatic molecule such as > SMILES c1ccccc1. But something went wrong, actually I got an image of > cyclohexane. > This PDF http://downloads.sourceforge.net/cdk/cdknews1.2.pdf talked > something about it. But, what should I do with my code to fix it? The > IMolecule instance was generated with these code: > > SmilesParser sp = new > SmilesParser(DefaultChemObjectBuilder.getInstance()); > IMolecule molecule = sp.parseSmiles(smiles); > > > Best Regards, > > Duan Lian > > Laboratory of Molecular Modeling and Design > School of Pharmacy > East China University of Science and Technology > Shanghai, 200237, China > > ------------------------------------------------------------------------- > This SF.Net email is sponsored by the Moblin Your Move Developer's challenge > Build the coolest Linux based applications with Moblin SDK & win great prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
