Re: [Rdkit-discuss] visualize substructure matches in Molecule Grid Image

I have an example in this blog post that does what you're looking for. http://practicalcheminformatics.blogspot.com/2019/09/dissecting-hype-with-cheminformatics.html On Tue, Sep 29, 2020 at 6:04 PM Markus Metz wrote: > Thank you Kangway. > So it is list of lists for each molecule in the grid.

Re: [Rdkit-discuss] visualize substructure matches in Molecule Grid Image

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 Sent: Tuesday, September 29, 2020 2:33 PM To:

Re: [Rdkit-discuss] visualize substructure matches in Molecule Grid Image

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 wrote: > > Hi Markus, > > The highlightAtomLists argument is looking for a list for each mol in the mol > list. Instead of highlightAtomLists=hit_ats, change

[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