On Tue, Sep 28, 2010 at 6:37 PM, Christoph Steinbeck <[email protected]> wrote: > I believe that Miguel Rojas once wrote such an enumerator. > If he listens, he might be able to comment. > Not sure if it made it into the CDK or is still stand-alone.
Yes, I think it did... it's part of the ionozation potential prediction, but Miguel is indeed the person who can best explain the code... Egon -- Dr E.L. Willighagen Post-doc @ Uppsala University (only until 2010-09-30) Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
