On Wed, Jul 8, 2009 at 11:15 AM, Egon Willighagen
<egon.willighagen@...> wrote:
On Wed, Jul 8, 2009 at 5:13 PM, Egon
Willighagen<
egon.willighagen@...> wrote:
> On Wed, Jul 8, 2009 at 5:01 PM, Noel O'Boyle<
baoilleach@...> wrote:
>> Shurely there's some mistake. There's no reference to the CDK in the article.
>
> Yes, I'm noting that too... I'm now looking at the source code...
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?)
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
--
Rajarshi Guha
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