On Tue, Mar 20, 2012 at 8:44 AM, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
> Hi Thomas,
>
> 'Wrong', certainly in the context it was given in, is a statement of
> judgment. It suggest that there is a failure in the functioning, and
> is a criticism to the developer, becoming a wrongdoer. My argument is,
> that the answer given (with TER statements) is not wrong, but from a
> chemical and biological point of view, and in light of the PDB format,
> is actually more correct.

The PDB format says:
The TER records occur in the coordinate section of the entry, and
indicate the last residue presented for each polypeptide and/or
nucleic acid chain for which there are determined coordinates. For
proteins, the residue defined on the TER record is the
carboxy-terminal residue; for nucleic acids it is the 3'-terminal
residue.
( http://www.wwpdb.org/documentation/format33/sect9.html#TER )

Chain breaks in crystal structures are generally not the
carboxy-terminal residues.

-David

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