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R#
atom label information lost in molfile if not handled by the RGP
spec
#5810
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Describe the bug
related to #5763
We've encountered > 800 molfiles in ChEBI with
R#
atoms that are not handled by a M RGP entry.RDKit replaces the
R#
with*
and it is not possible to know, even with the mol.Debug() function that the original molfile had that R symbol/label thereTo Reproduce
Getting an
R#
instead of a*
is quite important for ChEBI since they have a meaning in the ontology:*
= attaches to somethingR
= something attaches hereExpected behavior
Keep label info.
Configuration (please complete the following information):
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