Clemens Vonrhein wrote:
One thing I found very confusing though, is that the com-files created by the CCP4i will often have (nearly) all possible keywords set, even if I haven't changed any of the defaults in the gui. Often, a CCP4 program has defaults itself and only requires keywords if one wants to change things - which is nice, since it leads e.g. to a very short SCALA comand-file. I'm not always convinced that the settings done by the CCP4i interface (when keeping all edfaults) correspond to the defaults as implemented in the program itself.
This of course depends on whether the program author wrote their best set of defaults into the GUI or the program, which in turn depends on whether the program author wrote the GUI or not.
I tend to assume that everyone is running through the GUI these days, and make sure that the GUI defaults are the sensible ones (although I try and keep the program source in step). If someone asks me how best to run one of my programs, the answer is therefore to use the GUI to generate a command script and start from there.
Kevin
