Hello all, I am interested in counting the number of rings that an atom is participating in. I would like to separate these by the size of the ring. So, for instance, in 'CC12CCC1CC2', I would like to know how many rings of size (3-7) does the atom 'C' with index 1 participate in. The answer here would be size 3: 0, size 4: 2, size 5: 0, size 6: 0, size 7: 0. Looking online, I found that
mol.GetRingInfo().AtomRings() provides a tuple of rings, with atom indices. In this case, ((2, 3, 4, 1), (5, 6, 1, 4)) With this, I can definitely write an algorithm to check ring sizes and for each ring size (3−7), the number of rings that include this atom. My question is if there is an intrinsic RDKit function that provides this info without all the hassle? Or if you suggest a more elegant way to do it. Thanks in advance! Best, Navid
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