Hello all,
Hello
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 (thank you greg) and the
smile of this cycle.
Then I used the output SDF file to determine the presence or absence of
heteroring (if in the ring there are a nitrogen for exemple) and I have in some
cases a type "None" when the same smile that is provided by RDKIT macro.
I thought the error came because of point of a dicycle but not at all.
Also you have an idea for determining the bicyclic and tricyclic?
I thought after the "1", "2", "3" smi and divide by 2 but does not work at all:
(
Thank you
Cédric
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