Dear all,
I'm running a series of single structure calculations (i.e 1 structure
calculated per call of XPLOR). When I'm analyzing the resultant output, I'm
seeing a notable difference in variable values between the solved structure
(refine_0.sa) and the average (refine_ave.pdb). Additionally, the
structures are not identical, though very similar.
This seems puzzling to me as with only a single structure calculated, the
'average' structure should be identical to the one calculated.
Is there an easy explanation for this observation? If not, is one of these
two solutions (refine_0.sa vs refine_ave.pdb) more trustworthy?
Bests,
John

-- 
*John B. Stiller*
Ph.D. Candidate
Kern Group
Department of Biochemistry
Brandeis University
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