Re: [Rdkit-discuss] Generating Trans structure for specific torsion angles definitions

To the list with the overly large images removed so that it actually makes it... On Fri, Jul 12, 2019 at 4:20 PM Greg Landrum wrote: > Hi > > I can't reproduce what you say you're seeing. Here's my example: > > https://nbviewer.jupyter.org/gist/greglandrum/fd828137e337a6d06c9cc275b7215ba1 > > Wh

Re: [Rdkit-discuss] How to turn off labels and bonds coloring when calling Draw.SimilarityMaps.GetSimilarityMapFromWeights(mol, weights)?

Hi Francois, The important thing here is to pass a DrawingOptions structure that you pass along. Here's an example: drawOptions = Draw.DrawingOptions() drawOptions.elemDict={} drawOptions.bgColor=None fig, maxweight = SimilarityMaps.GetSimilarityMapForFingerprint(refmol, mol, SimilarityMaps.GetMo