Ah, missed this one: > P.S.: It would be great if one could calculate 3D coordinates on the basis > of 2D data in KNIME/CDK. In principle, that is possible (and we already have a node for this. However at the CDK workshop last year in Cologne we found several problems with the 3D coordinate generation in CDK at that time. I'm currently not informed of the actual status in CDK's trunk code. If something has been changed we can give it another try.
-- Thorsten Meinl room: Z815 Nycomed Chair for Bioinformatics fax: +49 7531 88-5132 and Information Mining phone: +49 7531 88-5016 Box 712, 78457 Konstanz, Germany ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
