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2007.06.07 -- This application has been archived. Local users, see a CSB staff member for help if you need to run this program in the Core.

CRITXPL

Authors: L.M. Urzhumtseva#* and A.G. Urzhumtsev@*

#UPR de Biologie Structurale, IGBMC, Parc d’innovation, B.P. 163, Illkirch, France
@LCM3B, Université Nancy 1, Faculté des Sciences, 54506, Vandoeuvre-lès-Nancy, France
*IMPB, RAS, Pushchino, Moscow Region, 142292, Russia

e-mail : sacha@lcm3b.u-nancy.fr

CRITXPL gives a graphical representation of the variation of the minimisation criteria during an X-PLOR or CNS refinement. You can run CRITXPL after the refinement to view how various parameters such as R and Rfree, Etot, BOND, ANGL, DIHE, VDW, NOE, etc. change during the separate processes. Or you can run CRITXPL during the refinement and update the graphs periodically to see the progress.

To start CRITXPL in the CSB core, type:

setup critxpl (or source /srv/local/setup/critxpl.set)

and in the directory where your log file is written, type:

critxpl

After a minute you should get a dialog box listing the files in that directory. Double click on the log file you want to examine and click the RUN button. A graphics window similar to the one below should appear (only larger). Play with the buttons.

Note: You will also get a file, critxpl.out, which has the results in tabulated form.

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Last Modified: Thursday, 07-Jun-2007 09:40:35 EDT by P. Fleming