Rich Apodaca said:
> Depending on how deep they run the Python, this might
> make another great library on which to build ruby (and
> perl) interfaces.
That may well be take some work. We did the Python wrapper with boost
python, so any new wrapper would require someone to either "SWIGify"
the lib
On 14/09/2007, Geoffrey Hutchison <[EMAIL PROTECTED]> wrote:
> > I've been sitting on this for a day or two while finding out more
> > information, but you should check out the cheminformatics toolkit
> > RDKit which, like OpenBabel, has its origins in a commercial
> > company...
>
> Thanks Noel, t
Amazing.
I guess I thought I knew what I'd be doing this
weekend - guess I was mistaken.
Depending on how deep they run the Python, this might
make another great library on which to build ruby (and
perl) interfaces.
2D and 3D coordinate generation, all the other I/O and
structure searching capab
> I've been sitting on this for a day or two while finding out more
> information, but you should check out the cheminformatics toolkit
> RDKit which, like OpenBabel, has its origins in a commercial
> company...
Thanks Noel, this looks really great. Does Greg seem interested in
continuing mainte
I've been sitting on this for a day or two while finding out more
information, but you should check out the cheminformatics toolkit
RDKit which, like OpenBabel, has its origins in a commercial
company...
I've given it a write up here:
http://baoilleach.blogspot.com/2007/09/rdkit-not-just-yet-an
