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

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? > >

Re: [Rdkit-discuss] Keeping 3D coordinates from sdf file

You can use “addCoords=True” in your addHs call. http://rdkit.org/docs/source/rdkit.Chem.rdmolops.html#rdkit.Chem.rdmolops.AddHs Sunhwan > On Aug 21, 2020, at 6:11 AM, Puck van Gerwen wrote: > > Hi Paolo, >

Re: [Rdkit-discuss] ConstrainedEmbed issue

Section “Working with 3D Molecules” in > https://www.rdkit.org/docs/GettingStartedInPython.html > <https://www.rdkit.org/docs/GettingStartedInPython.html> > > Best regards, > Sereina > > > >> On 7 Jul 2020, at 21:26, Sunhwan Jo > <mailto:sunhw...@gma