The Xtal Suite single crystal refinement suite can now be spawned from within WinGX.
A few caveates on how the present WinGX implements this:
If you haven't already, make sure an up to date version of the Xtal Suite has been installed (e.g., in the c:\wingx directory - c:\wingx\xtal372 ).
And set the environment variables as per the WinGX instructions. (the reboot if your operating system requires it - Win95, Win98, etc)
XTALHOME <fullpath of location of XTAL732.EXE and system files> XTALTCLLIB <fullpath of Tcl library DLL> XTALTKLIB <fullpath of tk library DLL>
An example involving Xtal 3.7.2 and Tcl/Tk 8.3.
set XTALHOME=C:\wingx\xtal372\bin\ set XTALTCLLIB=C:\tcl\bin\tcl83.dll set XTALTKLIB=C:\tcl\bin\tk83.dll
Extra information from Louis Farrugia:
The enviroment variables are quite important to get correct. The first is XTALHOME, which should point to the home directory of XTAL, i.e. where the main executable and system files are kept, e.g set XTALHOME=c:\wingx\xtal372\bin\ It is VERY IMPORTANT that this path DOES NOT contain embedded blanks so that set XTALHOME=c:\Program Files\xtal372\bin\ is NO GOOD (some options of XTAL will not work) - use instead set XTALHOME=c:\Progra~1\xtal372\bin\ even when working with NT/2000/XP The other two environment variables indicate the locations of the tcl DLL's (these can be any recent version of tcl/tk) and here embedded blanks are not important set XTALTCLLIB=\Program Files\tcl\bin\tcl83.dll set XTALTKLIB=\Program Files\tcl\bin\tk83.dll
If you haven't already, make sure an up to date version of the Xtal Suite has been installed.
Xtal Suite (GPL'd) with Tcl/Tk via the WinGX Site
The most up to date version of the Xtal distribution is from the Xtal website at Sourceforge.
Xtal Suite (GPL'd) website
Tell WinGX where the Xtal Suite is LocatedVia the File, System, Applications and select the Xtal executable via the Browse.
Running Xtal from winthin WinGXVia the menu select Refine, Xtal 3.7.2, Import Shelx to import the WinGX structure data into Xtal and run PIG. (Click on the EXIT Icon three times to Exit PIG)
Running Xtal a second time from winthin WinGXIf you then run Xtal a second time via the WinGX interface (using Refine, Xtal 3.7.2), you can then select various Xtal sub functions such as Crisp, Creduc, Bunyip, etc.