On Thu, Jul 29, 2010 at 11:09 AM, Peter Schmidtke <[email protected]> wrote:
>
> interesting, I thought it was intended to be so :)
I sometimes have strange ideas, but I'm not *that* insane. ;-)
> I use the following code :
>
> import rdkit.Chem as chem, rdkit.Chem.Draw as chemDraw
>
> ligand=chem.MolFromSmiles(smilesCode)
>
> if ligand:
> chemDraw.MolToImageFile(ligand,tmpdir+os.sep+"test.gif", size=(250,
> 98), kekulize=True, wedgeBonds=True)
That looks fine.
> I did not try on other systems, but this happens on a opensuse 11.1 64 bit,
> with rdkit q4 2009 and boost 1.41
>
> I'll check on my mac as soon as I get rdkit installed if that problems occurs
> there also :)
>
I'd be curious to hear what you find. As I said: the colors should be
normal: red oxygen and blue nitrogen. If you look in
$RDBASE/rdkit/Chem/Draw/MolDrawing.py you'll find the definitions of
the colors as (r,g,b) tuples:
elemDict={
7:(0,0,1),
8:(1,0,0),
9:(.2,.8,.8),
15:(1,.5,0),
16:(.8,.8,0),
17:(0,.8,0),
35:(.5,.3,.1),
0:(.5,.5,.5),
}
-greg
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