Hello Greg,
Thank you. I will check out and give you my impression or comment about the
new functionality.
Takanori Ohgaru.
2011年2月12日23:02 Greg Landrum <[email protected]>:
> Hello Takanori,
>
> The functionality requested below is now available in the RDKit
> subversion repository. Information is available on the wiki:
> http://code.google.com/p/rdkit/wiki/ExplainingMorganFingerprintBits
>
> This will be in the next release (coming in March), but if you are
> willing to use a pre-release version of the RDKit, please check out
> the code from svn and let me know what you think.
>
> Best Regards,
> -greg
>
> 2010/12/28 大軽貴典 <[email protected]>:
> > 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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