Hello--
> how to generate deviation from idealized geomtry in xplor(such as bond)?
> should we compare with an X-ray structure as an idealized geomtry?
>
When using the Python interface, deviations and numbers of violations
are printed out in the REMARKs section of each calculated
structure. The identity of the violations is printed in a .viols file,
and statistics on most commonly violated restraints are listed in a
.stats file. I hope this answers your question.
best regards--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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