With the upcoming new CDK-Taverna Plugin release (approximately in 1 or 2 weeks) you can calculate atomic descriptors with Taverna as workbench. There you can than create a workflow which calculates atomic descriptors.
Cheers, Thomas -----Ursprüngliche Nachricht----- Von: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Im Auftrag von Rajarshi Guha Gesendet: Dienstag, 2. Oktober 2007 16:05 An: Ruixin ZHU Cc: cdk-user Betreff: Re: [Cdk-user] CDK can't calculate "atomic" descriptors? On Oct 2, 2007, at 9:37 AM, Ruixin ZHU wrote: > Dear cdk-users, > > It seems that Dr. Rajarshi Guha only provide a GUI for calculating > molecular descriptors, which don't include the function of > calculating the "atomic descriptors". > Any one can confirm this or provide a GUI for calculating the > atomic descriptors. Thank you! That's correct, right now there is no GUI for evaluating atomic descriptors that I'm aware of ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A debugged program is one for which you have not yet found the conditions that make it fail. -- Jerry Ogdin ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
