[Xplor-nih] How do I interpret the calculation result

[Charles at Schwieters.org]

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Hello Xiaohu--

> 
>   fit selection: name CA
> 
>   comparision selection: not name H* and not resname ANI
> 
> Can anyone suggest How do I interpret the numbers in the last two columns in
> the above output? My personal understanding is that the "fit' column
> bascially calculates the RMSD of each structure with respect to the average
> using CA ONLY and the "comparison" column does RMSD of each structure with
> respect to the average using all heavy atoms (in my protein sample, 15N,
> 13C, O, S).
> Is this correct?

exactly.

> One more little detail, what's ANI?
> 

The residue name ANI is used for the tensor atoms used by the RDC
potential term. You usually don't care about the positions of these
atoms. 

best regards--
Charles
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