Some of the fingerprint bit rendering code in this tutorial is no longer working with 2020.09.01 https://rdkit.blogspot.com/2018/10/using-new-fingerprint-bit-rendering-code.html
Draw.DrawMorganBit(epinephrine,589,bi) works, but tpls = [(epinephrine,x,bi) for x in fp.GetOnBits()] Draw.DrawMorganBits(tpls[:12],molsPerRow=4,legends=[str(x) for x in fp.GetOnBits()][:12]) throws the error AtomKekulizeException: non-ring atom 3 marked aromatic It can be “fixed" by Chem.Kekulize(epinephrine,clearAromaticFlags=True) But now one gets different fingerprints of course. Has the usage changed since 2018 or did a bug sneak in? Best regards, Jan
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