Re: [Cdk-devel] how to use MMFF94 to get energy of a molecule?

[Rajarshi G. <rx...@ps...>]

On Tue, 2006-06-06 at 08:25 +0200, ten...@gm... wrote:
> hi,
> 
> the forcefield code is unsupported and was never really finished. I
> recomment not to use it.
> With MQL and the geometric optimising functions currently developed at
> Gisbert Schneiders group, one can think to refactor the force field
> and 3d modeller stuff (and atom type perception).

I thought the 3d builder was usable? If thats the case wouldn't it imply
that the MMFF94 code is also usable?

The Javadocs don't say anything about the status

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Rajarshi Guha <rx...@ps...> <http://jijo.cjb.net>
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Bus error -- driver executed.