sushil ronghe wrote: > Thorsten wants to cluster the molecule based on the substructure. > So he only want to calculate that if the given structure is having a > query substructure > or some substructure within the constraint.He is not interested in MCSS. > (this is my understanding about his problem) Well, not quite. I really want to cluster the molecules based on their pairwise MCSS. And Rajarshi is right, if one wants to find the MCSS the search automatically finds all MCSS. That was a logical error in my thoughts. So the example is what I was looking for.
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
