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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 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFFXIISPK2zrJwS/lYRAkeSAJ9clpAwMJqPudwHf2WOrzg/UeqfIgCfSWGU dqGUAvZdr/+bQfjJ5TvsGeg= =16Kf -----END PGP SIGNATURE-----
