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)NC1which 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.
<<attachment: 0CP.png>>
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