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XDSGUI: Difference between revisions
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== Tools == | == Tools == | ||
offers possibilities for running short scripts. Several such scripts are pre-defined; the user may create her own scripts. If scripts are modified, they are saved to ~/.xds-gui . <br>The first item offers to run [[XDS-viewer]] for displaying the predicted pattern of reflections for a user-specified frame, together with the frame itself. <br>The other pre-defined scripts run commands that either simplify to save/restore the current data processing files to/from a "save" directory, or to manipulate [[XDS.INP]] in several ways, or to run e.g. [[pointless]] on the generated XDS_ASCII.HKL file. | offers possibilities for running short scripts. Several such scripts are pre-defined; the user may create her own scripts. If scripts are modified, they are saved to ~/.xds-gui . <br> | ||
The first item offers to run [[XDS-viewer]] for displaying the predicted pattern of reflections for a user-specified frame, together with the frame itself. The file FRAME.cbf is renamed to FRAME_$X.cbf (where X is the user-specified frame number) and remains in the temp subdirectory. It may of course be opened in the FRAME tab, but starting XDS-viewer automatically means that several frames with predictions may be inspected on the screen, at the same time. <br> | |||
The other pre-defined scripts run commands that either simplify to save/restore the current data processing files to/from a "save" directory, or to manipulate [[XDS.INP]] in several ways, or to run e.g. [[pointless]] on the generated XDS_ASCII.HKL file. | |||
As long as the XDSSTAT tab is non-functional, I suggest to put the following into a "User-defined command" of the Tools tab: | As long as the XDSSTAT tab is non-functional, I suggest to put the following into a "User-defined command" of the Tools tab: | ||
echo | xdsstat > XDSSTAT.LP; loggraph XDSSTAT.LP | echo | xdsstat > XDSSTAT.LP; loggraph XDSSTAT.LP | ||
The popup "Warning: 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 "Ok" button. | |||
== XDSSTAT == | == XDSSTAT == | ||