openbabel / openbabel/openbabel
CIF Metal-O=C... bond
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Since Feb 22, 2017.
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bug
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Description
From Miguel Quiros Olozabal:
- When an atom as O, N or S is bonded to a metal and also forms a double
bond to a carbon and thus should be represented as M, the
bond is transformed into simple to keep "standard valency" of atom X and
this introduces more inaccuracies, for example is quite frequent to find
something like M, a false trivalent carbon.
Reported by: @ghutchis
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