Hi Paolo!
Very helpful to know - I missed this in my google search. Thank you very
much for your prompt answer and for implementing these changes :).
Best,
Fio
On Thu, Aug 27, 2020 at 12:30 PM Paolo Tosco
wrote:
> Hi Fio,
>
> there is an open PR that addresses this and other issues with the
>
Hi Fio,
there is an open PR that addresses this and other issues with the
TautomerEnumerator:
https://github.com/rdkit/rdkit/pull/3327
As soon as it will be merged in the main trunk this functionality will be
available.
Hope that helps, cheers
p.
On Thu, Aug 27, 2020 at 9:08 PM Fiorella Ruggiu
Hi everyone,
I am cleaning up molecules to import into our database and canonicalizing
the tautomer using rdkit in python. Some cases result in a time-out and do
not go into my except to be caught. I would like to try setting the
maxTautomer to lower than 1000. I found there was no direct option
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