Hi Paul,
ctfile.pdf says: "entry in periodic table"
I interpret this to mean "Cl", since that's what one finds in the typical
periodic table.
The RDKit, curiously, agrees with me. ;-)
-greg
On Mon, Jan 18, 2016 at 8:45 AM, Paul Emsley <pems...@mrc-lmb.cam.ac.uk>
wrote:
>
> Dear RDKitters,
>
> Is is clear what the case of the second character of an atom symbol in
> the atom block of a MolFile should be? i.e. "CL", "Cl" or either?
>
> Thanks,
>
> Paul.
>
>
>
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