Hi Navid,
if I interpret correctly your question, either of these should do what you
need:
Chem.DeleteSubstructs(mol, Chem.MolFromSmarts("[#1X0]"))
Chem.DeleteSubstructs(mol, Chem.MolFromSmarts("[#1]"), onlyFrags=True)
HTH,
p.
On Wed, Jan 20, 2021 at 5:38 PM Navid Shervani-Tabar <[email protected]>
wrote:
> Dear all,
>
> I was wondering if there is a function to remove "hydrogen atoms without
> neighbors" from the mol object. Thanks!
>
> Regards,
> Navid
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