On Fri, Jun 27, 2014 at 7:57 AM, Thomas Strunz <beginn...@hotmail.de> wrote:
>
> thanks for your quick reply. This helped to improve the alignment.
>
>
I'm glad to hear it!
> How can I reproduce the alignment done in with the Open3DAlign Node in
> Python? Is it possible at all?
>
But of course. :-)
There's some example code that shows how to do it on page 37 of Paolo's
presentation from the last RDKit UGM:
https://github.com/rdkit/UGM_2013/raw/master/Presentations/Tosco.RDKit_UGM2013.pdf
-greg
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