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Re: [Gchempaint-main] i'm new of gchempaint and have a question
From: |
Francesco Pietra |
Subject: |
Re: [Gchempaint-main] i'm new of gchempaint and have a question |
Date: |
Fri, 5 Oct 2007 22:21:06 -0700 (PDT) |
I could assure a number of key templates, though, until gchempaint remains
unavailable as a Debian package (etch) I can do nothing. I am too much involved
with new computational tools to have the time for what appears to be a
complicated compilation as that of gchempaint (not to mention babel).
I am happy to read that the possibility of importing from PubChem is being
taken into account. When I fostered development of gchempaint (already long
ago, for the package that I considered most close to the need of the chemist in
unix systems), I suggested importing from PubChem as most useful.
All the best
francesco pietra
--- Jean Bréfort <address@hidden> wrote:
> Le vendredi 05 octobre 2007 à 20:34 +0200, Fabio a écrit :
> > Hi guys, i'm new here. I'm Fabio from Italy.
> > First of all i want to thanks everybody for the great program, so
> > especially the developers and all the people that work at this project.
> > I'm a student of medical biotecnologyand this program for me is really
> > really useful.
> > My question is, do you have, in your site or whatelse a database of
> > molecular structures to import directly?
> > i've seen that the package is released with some molecules, why don't
> > you think to release package with more structures or updates or so on..?
> > thanks everybody
> > bye
> > Fabio
>
> There is no such database at the moment. Jordan started evaluating the
> possibility to retrieve the structures from pubchem. We can also add new
> templates if somebody draws them and send them to this list or attach to
> a feature request at savannah. Coding takes all my free time at the
> moment.
>
> Regards,
> Jean
>
>
>
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>
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