Hi,
The FOX program ('Free Objects for Xtallography') is a program for
the Global Optimization of Crystal Structures from powder diffraction
data (X-Ray, neutron). It is available freely in compiled or source
form for Linux and windows (tested on 98,NT,2000,XP).
A new version of FOX "Free Objects fo Xtallography" is available. It
adds the handling of preferred orientation, plus numerous bugfixes,
especially under windows.
Fox is available from
http://objcryst.sourceforge.net
and the CCP14 mirrors:
http://www.ccp14.ac.uk/ccp/web-mirrors/objcryst/
http://ccp14.semo.edu/ccp/web-mirrors/objcryst/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/objcryst/
Note that you can compile Fox from the source code (on
windows&Linux), which will enable you to have more
frequent updates, and also help me (hint,hint)
Thanks to all who helped or made suggestions for this release.
Changelog:
NEW FEATURES
* FOX now supports Preferred Orientation, using the March-Dollase
model. The texture parameters can be searched ab initio.
* The 3D display of the crystal structure is now also refreshed
automatically under WinNT and above (still much less responsive
than under Linux -hint,hint).
* The default size of crystal structure and powder pattern are more
reasonable under windows.
* New atoms in ZScatterer are now given a sensible default name,
ScattPowName+number of the atom.
* The wavelength is now directly displayed in the window, rather
than exclusively through a menu.
* Added ability to duplicate scatterers in Crystal.
* Powder diffraction pattern keeps zoomed during optimization.
BUG FIXES
* The atom names in ZScatterer are now validated without the
'enter' key being hit.
* Adding atoms in a z-matrix scatterer does not crash anymore.
* removing a scatterer (or any object...) after running an
optimisation, does not crash any more when optimization is
relaunched (the parameter list is now correctly rebuilt).
* Now correctly zooming when the dragged area goes beyond
2theta limits.
--
Vincent Favre-Nicolin
ESRF- Grenoble, France
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
|
