Hello Paolo,
Thanks a lot for your replies. Looks like I have finally managed to achieve
what I wanted to do!
Have a good weekend,
Giammy
On Fri, 8 Apr 2022 at 15:37, Paolo Tosco wrote:
> Hi Gianmarco,
>
> that's a radical cation, not just a cation, so you'll need to adjust the
> number of
Hi Gianmarco,
that's a radical cation, not just a cation, so you'll need to adjust the
number of radical electrons first, then you may neutralize using
Chem.MolStandardize.rdMolStandardize.Uncharger as documented in the RDKit
CookBook:
Hi all again,
I wonder whether there is a way in RDKit to neutralise the charges of
compounds such as "[C+]1C2C2CC2C12". Specifically, in my case I am
dealing with only carbon sequences.
Thanks,
--
*Gianmarco*
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