Re: [Rdkit-discuss] highlight substructure with Draw.MolsToGridImage

2016-06-18 Thread Taka Seri
Dear Francesco, I think you can highlight each molecules using highlightAtomLists option. I wrote an example. Following code was written in IPython notebook. ''' from rdkit import Chem from rdkit.Chem import rdBase from rdkit.Chem import Draw from rdkit.Chem.Draw import IPythonConsole from rdkit

[Rdkit-discuss] highlight substructure with Draw.MolsToGridImage

2016-06-17 Thread Francesco Del Carratore
Dear All, I just started using RDKit, and I am having some troubles using Draw.MolsToGridImage. I have a number of SMILES. My Aim is to plot them in the same file while highlighting a particular substructure (I have the SMILES for it as well). I managed to create the image with all the compounds