Dear all,
On Fri, Aug 23, 2013 at 5:28 AM, Greg Landrum <[email protected]>wrote:
> Thanks Paolo!
>
> I think it will be great for the RDKit to finally have a better force
> field. UFF is certainly better than nothing, but having access to MMFF94 is
> a big step forward.
>
> For the list: once Paolo has decreased the size of the testing data (the
> original files total to >30MB) this will be available on the trunk. It
> should certainly be available in the next release.
>
>
I merged Paolo's changes onto the trunk today. If you're working with the
github version of the RDKit, it is now available.
Thanks again Paolo.
-greg
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