Hi, Greg,
Thank you for your quick reply.
I've been using RDKit since your poster presentation in SHEF2010. RDKit is
very powerful and light cheminformaticsn tool.
I hope the function is available in the next spring.
Best,
Takanori Ohgaru.
2010/12/27 17:54 "Greg Landrum" <[email protected]>:
Hi,
2010/12/27 大軽 貴典 <[email protected]>:
>
> I use RDkit RDKit_2010_09_01
>
> I've got ECFP_X-like Morgan fingerprint of compounds.
> The fol...
At the moment there is unfortunately no way to get this information. I
do plan to add this functionality to the RDKit; I hope to be able to
do this sometime in January or February, in time for the March release
(2011_03_01).
Best Regards,
-greg
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