Hi Cedric,
Nik already made a couple of good points; I just have one thing to
add: it's relatively easy with the RDKit to produce an unhappy (in
the sense that it cannot be sanitized) molecule by the process of
removing non-ring atoms. This makes what you're doing more difficult.
This is a
Dear Cedric,
On Fri, Jul 16, 2010 at 11:12 AM, Cedric MORETTI
cedric.more...@firmenich.com wrote:
I have a small problem with cycles.
I used this macro:
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg01053.html
to determine, whether or not the presence of a cycle
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