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

[mpalmer]

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/