Formal charges for Gasteiger partial charge assignment. typer.cpp seems to
indicate that it assigns formal charges but I couldn't find the specific
line..
On Wed, Dec 21, 2011 at 8:55 PM, Geoff Hutchison
<ge...@geoffhutchison.net>wrote:
> > How are formal charges assigned in a molecule? I can't seem to find the
> code other than setPartialCharge and getPartialCharge accessors.
>
> Formal charges or partial charges? Formal charges are, by default,
> assigned by a format, or at the moment, by the Gasteiger partial charge
> assignment operation.
>
> -Geoff
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