On Mon, Oct 7, 2013 at 4:16 AM, Egon Willighagen <egon.willigha...@gmail.com
> wrote:
>
> > It's nice to try and satisfy all domains but in the end you need to have
> something which is actually useful.
>
> You have to do a better job at convincing me how the CDK is and is not
> used...
Every use case of the CDK I have seen involves the use of CDK functionality
to represent core chemical objects (atoms, bonds, molecules) and perform
operations on them. This would suggest that the CDK's goal should be to be
an efficient, tight, fast core cheminformatics toolkit.
> I don't see the point of being a copy of any of the other open
> source cheminformatics tools that focus just on graphs... that is not
> where our strength is.
What is the strength?
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
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