To whom it may concern,
I am trying to calculate Gasteiger-Marsili partial charge for a compound. I
have installed the windows version of OpenBabelGUI and I found assign
Gasteiger-Marsili sigma partial charges in the plugins. However, I have no idea
how to make the plugin work. How do I use thi
Hey Dan,
I just tried redownloading the sdf from here:
http://dtp.nci.nih.gov/branches/dscb/natprod_explanation2.html
and I get this file
http://dtp.nci.nih.gov/branches/dscb/natprod_ii_aug11.sdf which seems to be
the same one as before.
Is this indeed the latest one?
I just want to make sure s
On Aug 11, 2011, at 2:21 PM, David Flicker wrote:
> Thanks for all the help.
>
> I redownloaded the Diversity Set II, the Natural Products Set II, and the FDA
> approved oncology drugs sets from the DTP website. It seems that only the
> Natural Products one has a bad SDF and returns the bond c
