[Xplor-nih] anneal.py script
Charles at Schwieters.org
Charles at Schwieters.org
Tue Apr 10 12:30:30 EDT 2007
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Hello Hongyan--
sorry for my slow response.
> My starting structures dose not give a good fit to RDC (PALES SVD
> simulation only gave regression of 0.75). I do not have a protocol of
> refining Da, Rh using gridsearch as described by Clores et al in
> J. Magn. Reson. 133, 216-221 (1998). Could you please advice me where
> to get this protocol?
That procedure was not coded within Xplor-NIH. However, I intend to
implement it soon- I'll send you an email when it's ready.
best regards--
Charles
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