Hi Markus, The highlightAtomLists argument is looking for a list for each mol in the mol list. Instead of highlightAtomLists=hit_ats, change it to highlightAtomLists=[hit_ats] instead.
Kangway ________________________________ From: Markus Metz <metm...@gmail.com> Sent: Tuesday, September 29, 2020 2:33 PM To: rdkit-discuss@lists.sourceforge.net <rdkit-discuss@lists.sourceforge.net> Subject: [Rdkit-discuss] visualize substructure matches in Molecule Grid Image Dear all: I am looking for some advice. Is there a way to highlight substructure matches in molecules displayed as Molecule Grid Image. I found the highlightAtomLists and highlightBondLists options but the does not seem to work. Does anybody know how I can accomplish this? Please see below for an example. Best regards, Markus
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