Ah sorry - when rereading this I realize it is the SSSR problem - sorry
for being so slow :-(
Actually - I have not seen anything for this myself - will have a look
around ...
Sorry
Nik


On 1/21/13 4:13 PM, "Paul Emsley" <pems...@mrc-lmb.cam.ac.uk> wrote:

>
>I am making heavy weather of the following problem - and am wondering if
>I am missing something (such as a useful RDKit function).
>
>I am working on this beasty (as an example):
>
>http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=0CP
>
>COc1ccc(cc1O[C@H]1C[C@@H]2CC[C@H]1C2)C1CNC(=O)NC1
>
>which has a norbornane substituent. I am trying to prepare input for a
>downstream program that needs to know if the norbornane atoms are in a
>6-membered ring [1].  RingInfo gives me the 2 5-membered rings.  I am
>strugging to make use of that information to find 6-membered rings.  I
>have been using makeRingNeighborMap() and pickFusedRings().  Am I
>missing an RDKit function that finds all rings?
>
>Cheers,
>
>Paul.
>
>
>[1] actually, all atoms but it is the norbornane atoms with which I
>struggle.
>
>
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