On Wed, Jun 16, 2010 at 6:55 AM, Egon Willighagen <[email protected]> wrote: > On Wed, Jun 16, 2010 at 6:11 AM, <[email protected]> wrote: >> i am also given the molecule as attachment. > > What was the input structure?
OK, in the attachment :) Sorry about that; still a bit early here. I will look at it today. 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 [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
