Re: [Cdk-user] SMILESwriter can write canonical SMILES?

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

Noel O'Boyle wrote:
> Is it possible to use the cdk.io.SMILESWriter to write canonical SMILES?

Yes, that is what it is supposed to do.

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..