Dear all,
A new version of Fox is out. This is a mandatory update due to a bug
observed in some spacegroup settings (thanks to Jan van Mechelen for careful
testing).
Get the new version from:
http://sourceforge.net/project/platformdownload.php?group_id=27546
People already using the last beta version should see a more stable profile
fitting, auto-indexing support for triclinic cells (slow), and the extracted
structure factors are now saved in the xml files - see the full changelog
below.
If you want to see how useful a difference Fourier map can be during an
optimization, you can watch the following movie - it lasts for 1 minute and
shows the evolution of + and - difference Fourier maps as the algorithm
converges towards the correct structure of Cimetidine :
http://vincefn.net/Fox-FourierMapEvolution-mpeg4.avi (10Mo)
Please report any issue with this new release. Notably, MacOS versions are
yet untested.
Full changelog:
#### 1.7.5 - February 2007 (Revision #956)
NEW FEATURES
* Add support to compute Fourier maps (observed, difference),
with a "live" update during optimization
* Profile fitting and Le Bail extraction is now directly
available from a right-click on the powder pattern graph.
* Support for Intel macs
* Indexing triclinic lattices
* Explore centered lattices during auto-indexing
* LeBail-extracted structure factors are now saved in the xml file
IMPROVEMENTS
* More stable profile fitting
* Linux: keyboard shortcuts are working again
BUG FIXES
* Fixed incorrect computation of dynamical occupancy correction
in some asymmetric unit configurations
* Fixed crash when switching labels on/off during optimization
* Fixed windows crash when removing atoms in a Molecule/Polyhedron
--
Vincent Favre-Nicolin
Université Joseph Fourier
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
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