Thank you Kangway. So it is list of lists for each molecule in the grid. Perfect. Markus
> On Sep 29, 2020, at 2:44 PM, Chuang, Kangway <kangway.chu...@ucsf.edu> wrote: > > 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 <mailto:metm...@gmail.com>> > Sent: Tuesday, September 29, 2020 2:33 PM > To: rdkit-discuss@lists.sourceforge.net > <mailto:rdkit-discuss@lists.sourceforge.net> > <rdkit-discuss@lists.sourceforge.net > <mailto: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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