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<cmoody at uci.edu> writes:
Hello Colleen--
>
> I am trying to figure out how to obtain statistics regarding them
> (rdcPotTools RDC_analyze?). I have successfully run a structure
> calculation using RDCs; in my stats table I get violations and an
> RMSD(dev). Are these the only values available? Is there a way to see the
> average R-factor in this table as well (or is it likely there and I am
> missing it)?
>
With your script and a recent version of Xplor-NIH, statistics should be
reported in the .stats file. These statistics include the two
definitions of R-factor, Da and rhombicity in addition to rmsd. Please
let me know if you are looking for something else.
best regards--
Charles
- - --
Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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