Re: [Rdkit-discuss] MolsToGridImage drawing multiple conformers of single molecule

2021-06-07 Thread Sunhwan Jo
How about this? Draw.MolsToGridImage([Chem.MolFromMolBlock(Chem.MolToMolBlock(mol, confId=i)) for i in range(10)]) Sunhwan > On Jun 4, 2021, at 6:55 PM, Lewis Martin wrote: > > Hi all, > Is there a way to draw multiple conformers of a single molecule using > Draw.MolsToGridImage? > > Here'

[Rdkit-discuss] MolsToGridImage drawing multiple conformers of single molecule

2021-06-06 Thread Lewis Martin
Hi all, Is there a way to draw multiple conformers of a single molecule using Draw.MolsToGridImage? Here's a first attempt but, either all conformers are exactly the same or the parent molecule falls back to conformer 0, since all molecules in the grid appear the same: ``` from rdkit import Chem