On Wed, Jul 8, 2009 at 5:17 PM, Rajarshi Guha<rajarshi.g...@gmail.com> wrote:
>> Rajarshi, please elaborate and tell us what you know more about this...
>
> Yes, there's no source code yet (the main web site is still under
> development). I expect it will be there since the article indicates that
> they have released the tool under the GPL (that leads to another issue - can
> CDK be included in a GPL tool?)

Yes, the LGPL 2.1 (used by the CDK) is compatible with GPL 3. See:

http://gplv3.fsf.org/dd3-faq

> But if you look at the jar file contained in
> http://www.nature.com/nchembio/journal/vaop/ncurrent/extref/nchembio.187-S4.zip
> you can see CDK classes

Yes, found it... it's in the ScaffoldTreeGenerator.jar...

Egon

-- 
Post-doc @ Uppsala University
http://chem-bla-ics.blogspot.com/

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