Rajarshi Guha wrote: > Take a look at > http://cheminfo.informatics.indiana.edu/~rguha/code/java/#mcss > <http://cheminfo.informatics.indiana.edu/~rguha/code/java/#mcss> Ok, thanks. But the getOverlaps method returns *all* MCSS which can be quite many. In my special case I am only interested in one and not even in the structure but only in its size (molecule clustering). Is there a way to get this information faster than determining all MCSS?
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
