diff --git a/rdkit/Chem/TorsionFingerprints.py b/rdkit/Chem/TorsionFingerprints.py index d0a28f23d..9a7241f40 100644 --- a/rdkit/Chem/TorsionFingerprints.py +++ b/rdkit/Chem/TorsionFingerprints.py @@ -392,7 +392,7 @@ def _calculateBeta(mol, distmat, aid1): for b in mol.GetBonds(): nb1 = _getHeavyAtomNeighbors(b.GetBeginAtom()) nb2 = _getHeavyAtomNeighbors(b.GetEndAtom()) - if len(nb2) > 1 and len(nb2) > 1: + if len(nb1) > 1 and len(nb2) > 1: bonds.append(b) # get shortest distance dmax = 0