Hi Alexis, It's not currently possible to control the widths or colors of particular bonds in the molecular renderings, but you can certainly highlight arbitrary bonds (and the color of those highlights) in the molecular drawing. This is controlled using the highlightBondColors argument to DrawMolecule. Here's an example of that: https://gist.github.com/greglandrum/baafb4810aab474a0dd96dae9e34fcaf
The Python code that actually generates the similarity map using the new drawing code (described in this blog post: http://rdkit.blogspot.com/2020/01/similarity-maps-with-new-drawing-code.html) is here: https://github.com/rdkit/rdkit/blob/master/rdkit/Chem/Draw/SimilarityMaps.py#L152 At the moment you'd need to duplicate that and add the highlightBondColors argument to the call to DrawMolecules() thinking about adding an API to allow bond widths and colors to be directly changed is interesting... -greg On Wed, Jan 22, 2020 at 6:17 PM Alexis Parenty < alexis.parenty.h...@gmail.com> wrote: > Hi everyone, > > I use SimilarityMaps.GetSimilarityMapFromWeights(mol, atom_ids) to > highlight some parts of a structure, but is it also possible to change the > thickness of some bonds of a structure knowing their atom IDs? If selected > bonds cannot be bold, can we change their color? > > Many thanks and regards, > > Alexis > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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