Hi, I want to compute the MCSS for two molecules but I didn't find out, how to do it with CDK. As far as I understood, I need to build an RGraph with the UniversalIsomorphismTester and then make a query on the RGraph. But how should the query with the BitSets look like? Does anyone have an idea?
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
