I disagree. It certainly has its uses -- you just have to understand the
limitations (atomno < 100000; atomName length < 5; etc.) and live within
them. There are many cases where it is nice to have PDB output -- being
strictly tabular has many advantages, despite the limitations.
Bob
On Wed, Jul 14, 2010 at 8:17 PM, rgb <[email protected]> wrote:
> Robert Hanson wrote:
> > Jmol is not attempting to write a perfect PDB file, especially when
> > the data are not originally PDB data. I'll look into the occupancy
> > issue. I think that should be proper if the file has occupancy data.
> >
> Since the PDB-format is such a fundamentally broken one it is probably a
> good idea to disable PDB-file output unless the input was in that style.
>
> ;-)
>
> Rich
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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