Dear Deepak, On Wed, Jun 16, 2010 at 6:11 AM, <deep_ku...@imtech.res.in> wrote: > I am user of cdk library. when i want to calculate the desciptors using cdk > it give this kind of error that i can not understand. plz. if anybody have > an idea, help me to solve the error. i am also given the molecule as > attachment.
The stacktrace suggests that the CDK was not able to determine the atom type for one of the atoms in the input. What was the input structure? Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
