XDSGUI: Difference between revisions

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90 bytes added ,  17 June 2013
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* The second item ("Optimizing data quality") offers commands that manipulate [[XDS.INP]] in several ways. Please note: the popup "XDS.INP has been changed externally" is emitted by the Qt system and cannot be switched off. It appears if one of the scripts changes XDS.INP while it is opened by XDS-gui (which is always the case) . Thus, one should simply press the "Reload" button. The user-definable commandline may be used e.g. for
* The second item ("Optimizing data quality") offers commands that manipulate [[XDS.INP]] in several ways. Please note: the popup "XDS.INP has been changed externally" is emitted by the Qt system and cannot be switched off. It appears if one of the scripts changes XDS.INP while it is opened by XDS-gui (which is always the case) . Thus, one should simply press the "Reload" button. The user-definable commandline may be used e.g. for
  grep -v "JOB=" XDS.INP > x; echo "JOB= DEFPIX INTEGRATE CORRECT" > XDS.INP; cat x >> XDS.INP
  grep -v "JOB=" XDS.INP > x; echo "JOB= DEFPIX INTEGRATE CORRECT" > XDS.INP; cat x >> XDS.INP


* The third item ("Saving and comparing good results") offers commands to save/restore the current data processing files to/from a "save" directory.
* The third item ("Saving and comparing good results") offers commands to save/restore the current data processing files to/from a "save" directory. Make sure to replace "xdiff" with "xxdiff" or "pkdiff", if one of the latter is available.


* The last item ("Further analyses") may be used for commands that e.g. run [[pointless]] against the XDS_ASCII.HKL file. The user-definable commandline may be used e.g. for
* The last item ("Further analyses") may be used for commands, e.g. running [[pointless]] against the XDS_ASCII.HKL file. The user-definable commandline may be used e.g. for
  phenix.xtriage XDS_ASCII.HKL
  phenix.xtriage XDS_ASCII.HKL


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