[Cdk-devel] SMARTS visualisation

[Christoph S. <ste...@eb...>]

Dear all, 

just wanted to point you attention to a nice piece of work by Karen Schomburg in the Rarey group in Hamburg.
She developed a way to visualise SMARTS. 
Unfortunately, it is not free as in speech, but it *is* free as in beer.

http://www.smartsview.de

It can be used in a programmatic way:

http://www.smartsview.de/home/auto_retrieving

Cheers, 

Chris

--
Dr. Christoph Steinbeck
Head of Chemoinformatics and Metabolism
European Bioinformatics Institute (EBI)
Wellcome Trust Genome Campus
Hinxton, Cambridge CB10 1SD UK
Phone +44 1223 49 2640


What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..