Have you looked at GetMolFrags?
if you define
>m=MolFromSmiles('CCC.CC')
then
>rdmolops.GetMolFrags(m,asMols=True)
returns two molecules, keeping any coordinates or non-computed properties
in the process.
Jason Biggs
On Wed, Mar 10, 2021 at 9:42 AM Shani Zev wrote:
> Hi all,
> I have
Hi all,
I have mol object that contains two molecules, I want to delete one of the
molecules but without going through smiles (if I will go through smiles it
could be easy but I need to do it directly for the mol object.)
There is a way to get to each molecule while they are in the same mol
object?
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