Hi, When I built up molecules "by hand", i.e. using Java code with addAtom and addBond, the renderer will afterwards not draw aromatic rings. The ring is instead composed only of single bonds. I set the bond orders with bond.setOrder(CDKConstants.BONDORDER_AROMATIC) and a Smiles string generated from the molecule shows the ring correctly with ":" and small atom symbols. What else do I have to do, so that the 2D renderer shows the correct ring structure?
Regards, Thorsten -- Thorsten Meinl room: Z813 ALTANA Chair for Bioinformatics fax: +49 (0)7531 88-5132 and Information Mining phone: +49 (0)7531 88-5016 Box M712, 78457 Konstanz, Germany ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
