XDSGUI: Difference between revisions

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 .

The first item ("Show frame with predicted spots") generates the predicted pattern of reflections for a user-specified frame, overlaid on the frame, for display with [[XDS-viewer]]. The file FRAME.cbf (produced by INTEGRATE) 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 has the advantage that several frames with predictions may be inspected on the screen, at the same time. Please note: if the XDS directory resides in a FAT32 filesystem (which is often the case on a USB stick or disk), then "ln -s" should be replaced by "cp -p" since FAT32 does not support symlinks.

The other pre-defined items run commands that either manipulate [[XDS.INP]] in several ways ("Optimizing data quality"), or save/restore the current data processing files to/from a "save" directory ("Saving and comparing good results"), or run e.g. [[pointless]] on the XDS_ASCII.HKL file ("Further analyses").  

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 names of the buttons (e.g. "User defined command 1") can be changed by editing ~/.xds-gui .