Dear rdkiters,
I’m constructing molecules from scratch using python 3.5.4 and RDKit 2017.09.2
and due to the variety of reasons some of them are violating general principles
of chemistry in a way implemented in rdkit, so I’m getting information like:
Explicit valence for atom # 14 N, 4, is greater than permitted etc.
I wonder if there is a way how to retrieve this piece of information in a
programmatic way. In order to work with it. Presently, rdkit only prints this
out into terminal and Chem.SanitizeMol() only returns first sanitization flag
with the issue. Ideally, I’d like no information to be printed into console,
while keeping the log info ‘Explicit valence for atom # 14 N, 4, is greater
than permitted’ preferably in a structured way (in a property/method?), in
order to further deal with those erroneous cases.
Thank you for answer,
Lukas
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