An update on this thread:

On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński
<jasinski.adr...@gmail.com> 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

------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and 
threat landscape has changed and how IT managers can respond. Discussions 
will include endpoint security, mobile security and the latest in malware 
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to