> 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. > It is in a modified version of xplor v3.851 (The one also incorporated in the XPLOR-NIH shell). I am using the protein shift refinement, and I was expecting that the same output would occur for the CS-refinement in proteins. (Which is standard incorporated into xplor [also xplor-nih I suspect])
> > 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? I am running the script on a node of a cluster, using Debian Linux. Linux beoclus 2.6.14.4 It is not a fancy dual core machine, so it is most likely 32 bit. > > 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 I will surely look at this.... thanks > > 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----- > > > ------------------------------ > > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih > > > End of Xplor-nih Digest, Vol 45, Issue 5 > **************************************** >
