Re: [Rdkit-discuss] problem with overlap in drawing.
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2012-07-02 09:50:59
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An update on this thread:
On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński
<jas...@gm...> wrote:
>
> There is some example code:
>
> from rdkit import Chem
> from rdkit.Chem import Draw
> mol = Chem.MolFromSmiles('CC(=O)Nc1ccccc1C(=O)C1CCCC1C1CCCCC1')
> Draw.MolToFile(mol,'test.png')
>
I made some change to the depictor this morning that handle this case
as well as a few other problematic cases. These will be in the next
release
There are definitely still some problems in the depictor, but it's
better now than it was. Adrian: thanks for reporting this failure.
-greg
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