Dear Thomas,
On Thu, Apr 29, 2010 at 4:05 PM, Thomas Heller <thel...@ctypes.org> wrote:
>
> I get errors when trying to depict this smiles string: OC(=O)[C@@H]1CCCN1
>
> It is from the wikipedia entry for Proline:
> http://en.wikipedia.org/wiki/Proline
>
> As it turns out rdkit is passing 'nan' as coordinates to all the drawing
> functions ;-(
Can you please provide a bit of code that demonstrates the problem?
The following works fine for me:
[16]>>> from rdkit import Chem
[17]>>> from rdkit.Chem import Draw
[18]>>> m = Chem.MolFromSmiles('OC(=O)[C@@H]1CCCN1')
[19]>>> Draw.MolToImageFile(m,'proline.png')
Best Regards,
-greg
Thanks,
-greg
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