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 see about implementing this. I
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 drawing code
> (Draw.Reac
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 =
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