Hello Zhonghe--
>
> I used the script, calcSAXS from xplor-nih 3.1 to fit a structure
> ensemble against experiment:
>
> calcSAXS -fit -expt=$expt structure.*.pdb > ensemble.fit
>
> then the program reported a error like:
>
> calcSAXS", line 411, in <module>
> raise Exception('ensWeights values differ from ensemble size')
> Exception: ensWeights values differ from ensemble size
You should be able to fix this problem using either this option:
-ensWeightsRegexp=""
or
-ensWeights=1:1:1...
(where the number of 1s is the number of input pdb files.)
Please let me know if you continue having problems with this.
Charles
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