Dear Greg,
very neat nifty - I already like it a lot!
Paul
I'd be very happy for feedback on what people think of the new format.
-greg
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I would have liked to include James Davidson; since I think sanifix3.py is
his code... but the emails on pages
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01186.html
and
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01162.html
are
quite sensibly spam
On Tue, Aug 9, 2011 at 1:53 PM, JP jeanpaul.ebe...@inhibox.com wrote:
I have been using sanifix3.py to get around the Can't kekulize mol
errors... I have a number of molecules which still give me this error
(~1000 mols) even after running the sanifix script. I am attaching a
sanifix3.py
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