On 6/26/07, Thorsten Meinl <[EMAIL PROTECTED]> wrote: > 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?
CDKConstants.BONDORDER_AROMATIC should not be used, but this instead IAtom.setFlag(CDKConstants.ISAROMATIC) and IBond.setFlag(CDKConstants.ISAROMATIC) Egon ------------------------------------------------------------------------- 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
