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On Fri, Apr 12, 2013 at 2:45 PM, Boaz Shaanan <[log in to unmask]> wrote:
Whichever way the input file for the run is prepared (via GUI or command line), anybody who doesn't inspect the log file at the end of the run is doomed and bound to commit senseless errors. I was taught a long time ago that computers always do what you told them to do and not what you think you told them, which is why inspecting the log file helps.

I agree in principle - I would not advocate that anyone (*especially* novices) run crystallography software as a "black box".  However, whether or not a program constitutes a black box has nothing to do whether it runs in a GUI or not.  The one advantage a GUI has is the ability to convey inherently graphical information (plots, etc.).  That it is still necessary to inspect the log file(s) carefully reflects the design of the underlying programs; ideally any and all essential feedback should also be displayed in the GUI (if one exists).  Obviously there is still much work to be done here.

-Nat