The June 4th version had a glitch in the GUI based Fourier contour
map generating program. As a repeat over the previous message:
For those who have not tried WinGX before, the GUI
Fourier map generator and viewer are one
of the mega highlights of the software. There is
a very pleasant voyage of discovery by trying out this
software. This includes a GUI version of Bob vonDreele's
FPRIME program to obtain f' f'' mu/rho and barns/atom for
any wavelength - just by clicking on the relevant atom
in a graphical periodic table.
As it free and can be installed in labs and at home - this software
is a definite must for practical teaching of single crystal solution
and refinement. It uses shelx *.ins and *.res files as the
common file format connecting all the publically available
programs together.
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Following is message from Louis on this update.
Lachlan.
PS: As mentioned previous: all that a Rietveld programneeds to talk to the WinGX fourier is a *.ins and *.fcfshelx format file. There is a possibility that the Fouriermay be compiled into a freestanding program.
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There is a new version of WinGX on my server. The ugly problem withFOURIER in the 32 bit version should now be solved. Also the INS fileupdates the data in memory as soon as it is written by Initialise Files, so youshould have no more problems with absorption corrections at the startof the job session. Please let me know if it is OK. There have been a fewother changes with the abs corrections (FACES.INS is now called FACES.DEFand has units in mm rather than cm) and a new absorption correction MULTISCAN isimplemented through PLATON. This is very good if you have a lot of multipleequivalents or psi-scans.
ALSO read the readme file for the installation - a few subtle changes. Itappears from conversations with Salford Software that the setting of environmentvariables was quite unnecessary, and indeed useless. You just have to put SALFLIBC.DLL in the path - this was the cause of the inconsistencies. Shouldwork fine now. !! ?
ALSO if a program dies and leaves a message in the status bar, you can nowrelease this problem by closing down WinGX FROM THE SYSTEM MENU (or blackcross in Win95). You get a message that some program is running. then thequestionabout leaving WinGX - just answer NO and all should be alright again
Ciao for now Louis------------
Lachlan M. D. CranswickCollaborative Computational Project No 14 (CCP14) for Single Crystal and Powder DiffractionDaresbury Laboratory, Warrington, WA4 4AD U.KTel: +44 (0)1925-603703 Fax: +44 (0)1925-603124 Room C14E-mail: l.cranswick@dl.ac.ukCCP14 Webpage (Under heavy reconstruction): http://www.dl.ac.uk/CCP/CCP14/