Re: [Bkchem-user] Using BKChem as a library for generation of 2D structure images

[Noel O'Boyle]

That's pretty interesting, although not what I'm looking for. The
number one requirement for Pybel is access from Python.

Noel

On 27/03/2008, mpalmer <address@hidden> wrote:
> I suggest looking at mol2ps
>
>  http://merian.pch.univie.ac.at/~nhaider/cheminf/mol2ps.html
>
>  It's written in Pascal - light and fast, nice looking output. I have a
>  hacked version (mol2eps) that writes eps with an approximated bounding
>  box - should be good enough for a quick look.
>
>  Michael
>
>
>  Noel O'Boyle wrote:
>  > Hello Beda,
>  >
>  > I'm working on Pybel (OpenBabel Python wrapper) and am looking into
>  > ways of generating a quick view of the structure of a molecule. Is it
>  > possible to use BKChem to generate an image of a molecule from the
>  > Python prompt which I can then display?
>  >
>  > I don't want to start BKChem itself, although that is another
>  > possibility (but that is a different problem). I just want to display
>  > a simple 2D view of a molecule.
>  >
>  > If this is possible, I would appreciate some pointers on how to do this.
>  >
>  > Regards,
>  >    Noel (O'Boyle)
>  >
>  >
>
> > _______________________________________________
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>  >
>
>
>  --
>
> Michael Palmer
>  Dept. of Chemistry
>  University of Waterloo
>  Waterloo, Ontario
>  N2L 3G1
>
>  Phone: (519) 888 4567 ext 35100
>  URL:   http://www.science.uwaterloo.ca/~mpalmer/
>
>
>