Re: [Rdkit-discuss] Highlighting some parts of a structure

[adding the mailing list back in] Hi Alexis, It's not currently possible to change the colormap that's being used with the new drawing code. It should be, so I created an issue for it: https://github.com/rdkit/rdkit/issues/2904 -greg On Thu, Jan 23, 2020 at 7:00 PM Alexis Parenty < alexis.pa

Re: [Rdkit-discuss] Highlighting some parts of a structure

Hi Greg, many thanks for your quick response. That's exactly what I was after. In addition, the quality of the new drawing code is superb. Best, Alexis On Thu, 23 Jan 2020 at 10:03, Greg Landrum wrote: > Hi Alexis, > > It's not currently possible to control the widths or colors of particular > b

Re: [Rdkit-discuss] Highlighting some parts of a structure

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 DrawMol

[Rdkit-discuss] Highlighting some parts of a structure

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 re