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[sdpd] FOX version 1.3
Hi,
A new version of FOX "Free Objects fo Xtallography" is available. It brings
a few new features, and fixes one serious bug, so all users are encouraged to
upgrade.
NOTE: if you got the 1.3 test versions before january 29th, please re-download
as there were a few problems with the test versions.
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/
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).
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)
################
Changelog:
NEW FEATURES
* Added a contribution from Michael Y. Polyakov, (working with
Brian Toby) to display Fourier maps exported from GSAS in
Fox (use right-click when displaying 3D structure to import).
(see http://objcryst.sourceforge.net/Fox/Alumina-Fourier.png)
NOTE: You need to wait for gsas/expgui next version to use this !
* Added scattering power for a sphere, e.g. to modelize a
disordered fullerene.
* Added the option to use pseudo-crystallographic symmetry in a
Crystal structure (i.e. use a spacegroup which is not allowed
by the unit cell). Could be useful for phase transitions.
* Added data format for FullProf formats 4 (synchrotron) and
6 (multi-detector, LLB G42)
* Now more than 100 atoms can be displayed in a ZScatterer unit.
* Added the ability to set relative limits on all scatterer
translations from their current positions.
* Added the ability to run Fox without the graphical interface,
once all objects to be optimized have been setup and saved in
a .xml file.
* shift-dragging with left mouse button allows to change center of
the 3D Crystal view.
BUG FIXES
* Fix serious bug in the dtermination of systematic extinctions,
which lead to missing reflections for (body|face)-centered
spacegroups with a center of symmetry not on the origin
(e.g. for Fd3m (Si,...))
* Fixed various bugs in the display and update of powder patterns
--
Vincent Favre-Nicolin
ESRF- Grenoble, France
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
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