Re: [Rdkit-discuss] Depicting reactions to the same quality as molecules

Hi Dave, Thanks for volunteering, but I have already started working on this based on on some code that Nadine did a while ago. It's probably more efficient for me to continue on that -greg On Wed, May 24, 2017 at 4:38 PM, David Cosgrove wrote: > Hi Greg, > I'll

Re: [Rdkit-discuss] Depicting reactions to the same quality as molecules

Hi Greg, I'll see about implementing this. I'll liaise with Ed. Cheers, Dave On Sat, May 20, 2017 at 7:00 AM, Greg Landrum wrote: > Hi Ed, > > This is a weak spot; we haven't yet added decent reaction depiction. > > The best that's currently available is to use the old

[Rdkit-discuss] Redundant hydrogen atoms

Hello, I am trying to formulate a reaction that describes a disconnection of a terminal methyl goup from a sulfide while leaving to ions - [S+] and [CH3-]. Herein is my code: from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem.Descriptors import * mol