XSeed.exe

Too many updates to list

1

Added support for DISP instructions

2

Changed temerature limits to -273 - 999 degrees C for TEMP instruction

1

At last version 2 is available - see Download Page.

1

Finally found and fixed the bug that occasionally caused the POV-Ray file to fail and give the message "Problem writing atom ...'.

2

On the "Unit Cell" page of the "Display Settings" control panel, there is now a feature that lets you show more than one unit cell outline at a time. Simply enter three integer values per line corresponding to the fractional coordinates of the far corners of the extra cells (i.e. the cell coordinate maxima). POV-Ray images will also have these extra cells. Unit cells can also be displayed with thick lines now.

3

On the "Stereo" page of the "Display Settings" control panel, you can now define the colors of the left and right eye images. These settings will be retained even when you exit the program. These colors will only be used if you are in "red/blue" stereo mode.

3

Added ability to define semitransparent triangles. This feature is accessed via the "Measure" control panel. Measure bonds while the "Save Triangles" box is checked. The color and transparency levels of the triangles can be adjusted.

1

Added the ability to import name.MSI files written by Cerius². Look at File | Open File | Files of Type | MSI File.

2

Made minor changes to "Display" control panel: now there is a slider to control the display of electron density peaks, and the peak height of the smallest displayed peak is also shown. The mouse scrolling wheel should also control the peak display.

3

Added lasso for atom selection: hold down the Alt key and use the mouse to "lasso" the desired atoms. Alt-drag selects atoms, Shift-Alt-drag unselects atoms, Ctrl-Alt-drag selects fragments, Shift-Crtl-Alt-drag unselects fragments.

1

On the "Miscellaneous" page of the "Program Settings" dialog, there is now an option to keep backups of existing SHELX name.INS files. When this option is selected, and you run either SHELXS or SHELXL, the existing INS file will be renamed to name.INS.001 or name.INS.002 and so on. This allows you to back-track the progress of the structure, if necessary.

1

Finally, the manual has been updated. It is now available as an HTML Help file only, and you can download it on the left. In order to call the help file from within X-Seed, you will need to get the new executable (below Left), and place the file "X-Seed.chm" in the X-Seed installation folder. Then run X-Seed and select "Information" - "X-Seed Help" from the main menu to call the help file.
The help file has been incorporated into the installation file for version 1.5 of X-Seed.

This is the executable of X-Seed v1.5. You will need it to be able to call the manual from within X-Seed.

1

Revived CSD "Annotations". This dialog box used to utilize the JNL file saved by the old version of QUEST. CONQUEST doesn't write a JNL file. In order for X-Seed to display bibliographic information, you need to save a name.TSV file ("File" > "Export Entries As" > "Tab Separated List") as well as name.DAT using CONQUEST.

1

More robust reading of CSD FDAT files (by the way, the problems you may have encountered thus far with many CSD entries stem from the CSD, not X-Seed. The CSD doesn't always stick to its own specifications when exporting FDAT files. It is supposed to use only 36 characters to specify the unit cell edges and angles, but sometimes this limit is exceeded. X-Seed will now attempt to compensate for this. (Note that the CCDC have now corrected this minor error).

2

Moved "Show POV Colors" checkbox from Display Settings control panel to POV-Ray control panel. It seems more logical that it should be here.

3

Added option to show wireframe model using thick lines. See "Thick Bonds" checkbox on Display Settings control panel. X-Seed will "remember" this setting when you exit.