[Xplor-nih] Log-file finishes abruptly

[Charles at Schwieters.org]

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Hello--

> 
> I am trying to do a chemical shift refinement of a nucleic acid.
> The script still needs some bug-fixes, which I am trying to do.
> 
> When the script runs, it will run for several hours and then quits, most
> probably due to an error in the script.
> 
> If I look at the logfile, which reaches a huge size (2.1GB !!), the last
> couple of lines are:
>  EH, KPROT, DELTASHIFT XX ===   0.760157102  20. -0.168966748
>  EH, KPROT, DELTASHIFT XX ===   0.839691749  20. -0.0630613379
>  EH, KPROT, DELTASHIFT XX ===   0.944964503  20.  0.0725509316
>  EH, KPROT, DELTASHIFT XX ===   2.84864399  20. -0.308519002
>  EH, KPROT, DELTASHIFT XX ===   3.98492932  20.  0.238357434
>  EH, KPROT, DELTASHIFT XX ===   4.33910856  20.  0.133075024
>  EH, KPROT, DELTASHIFT XX ===   5.84528759  20. 
> 

are these lines produced by the script? I can't find this string
anywhere in the Xplor-NIH distribution.

> That is where the logfile ends, halfway the line.

that file size is close to 2^31, the old signed 32-bit size limit. Which
platform are you running on? 

In any event, there is too much output- the script needs to be modified.

> 
> Or is there a way to write errors or abnormal endings of
> xplor-calculations to a seperate file ?
> 

you might check out the XPLOR statement
  set print=print.out display=display.out end

hope this help--
Charles
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