Hi Paolo,
It did. In fact I got confused by the documentation and completely ignored that function. Should update pointer to the documentation on my end, as I somehow landed here: http://www.rdkit.org/docs-beta/api/rdkit.Chem.rdchem.Mol-class.html#GetNumAtoms and that says that onlyHeavy (now explicitOnly) returns heavy atoms. Thanks Lukas From: Paolo Tosco <paolo.tosco.m...@gmail.com> Date: Wednesday, 1 May 2019 at 15:32 To: Lukas Pravda <lpra...@ebi.ac.uk>, RDKIT mailing list <rdkit-discuss@lists.sourceforge.net> Subject: Re: [Rdkit-discuss] Get num of heavy atoms returns incorrect value mol.GetNumHeavyAtoms
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