Ah,
interesting, I thought it was intended to be so :)
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)
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 :)
Cheers.
Peter
On 29/07/2010, at 11:03, Greg Landrum wrote:
> On Thu, Jul 29, 2010 at 9:23 AM, Peter Schmidtke <[email protected]> wrote:
>> Hey all,
>>
>> I always wondered, why colours in the 2D depictions in Rdkit are red for
>> nitrogens and blue for oxygens?
>>
>
> I would also wonder if I saw something like that. It doesn't happen
> for me though. How are you generating depictions?
>
> -greg
Peter Schmidtke
-----------------
PhD Student
Department of Physical Chemistry
School of Pharmacy
University of Barcelona
Barcelona, Spain
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