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DrrDom / crem

CReM: chemically reasonable mutations framework
BSD 3-Clause "New" or "Revised" License
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Annoying [13:51:55] WARNING: not removing hydrogen atom with dummy atom neighbors #14

Closed ale94mleon closed 2 years ago

ale94mleon commented 2 years ago

Hi, excellent package! I just wondering how to stop the warning message that pops up during link_mol and mutate_mol. I tried some

import warnings
warnings.filterwarnings("ignore", message='not removing hydrogen atom with dummy atom neighbors')

without succes.

DrrDom commented 2 years ago

Thank you! Warnings should be disabled at the RDKit level. More details are here https://github.com/rdkit/rdkit/issues/2683.