Hi all, There is the CDKHydrogenAdder for adding implicit and explicit hydrogens to molecules. But is there a class or method to *remove* explicit hydrogens? I suppose just removing all hydrogens from an AtomContainer won't do the trick, will it?
Thorsten -- Thorsten Meinl room: Z815 Nycomed Chair for Bioinformatics fax: +49 (0)7531 88-5132 and Information Mining phone: +49 (0)7531 88-5016 Box 712, 78457 Konstanz, Germany ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
