Yep, I’m aware .. but it wouldn’t take too much work to at least ignore
“<“ and “>” in the Open Babel parser.
In the meantime, my Python scripts will strip them from the SMILES strings
before passing them to Open Babel.
-Geoff
On Aug 14, 2022 at 4:42:25 AM, David Cosgrove
wrote:
> Hi
Hi Geoff,
You should bear in mind that the dative bond syntax is an RDKIt extension
to SMILES so is not guaranteed to be parsed correctly by other
cheminformatics toolkits.
Dave
On Sun, 14 Aug 2022 at 00:42, Geoffrey Hutchison
wrote:
> mol =
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