Well, you could try a Python script. Here's one I made earlier for an SDF file:
import pybel
for i, mol in enumerate(pybel.readfile("sdf", "bostrom.sdf")):
mol.draw(show=False, filename=os.path.join("images", "%d.png" % i))
See http://openbabel.org/wiki/Python. You will need to install OASA to
generate the images (see the instructions).
Alternatively, you could convert to ChemDraw files.
The next version of OpenBabel will allow generation of similar images
directly using "babel", AFAIK.
BTW, you may also wish to ask your question over at
http://blueobelisk.shapado.com.
- Noel
On 24 June 2010 13:06, John McKelvey <jmmc...@gmail.com> wrote:
> Hello..
>
> I have 40 or more MOPAC input structures for which I need to create
> publishable 2D drawings. Ultimately they need to be collated onto a
> few pages as possible in teh same order as presented (hopefully) to
> OPEN-BABEL. Is this possible? I use O-B for file format
> interchanges, but that's about all I'm familiar with.
>
> Any suggestions most appreciated.
>
> Many thanks!
>
> John
>
> --
> John McKelvey
> 10819 Middleford Pl
> Ft Wayne, IN 46818
> 260-489-2160
> jmmc...@gmail.com
>
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