Hi,
I just uploaded a new version of Fox. it adds a few features (Fourier maps
for single crystal data, persistent resolution for Fourier maps using
extracted intensities), and fixes a few bugs (notably with auto-indexing and
related to locks/crashes under Linux with 3D display during the
optimisation).
Update is strongly recommended !
NOTE: I am currently testing using molecular dynamics to solve the
conformation of flexible molecules with internal constraintes (e.g. flexible
cycles with > 6 atoms). I have a few test data, but if you have more it could
be useful. I hope to have a beta version soon.
You can get the new version from :
http://sourceforge.net/project/platformdownload.php?group_id=27546
Recent changes:
#### 1.7.6.2 - April 2008 (Revision #996)
NEW FEATURES
* Support Fourier maps for single crystal data
* Display Fourier maps with the original resolution used for the
extraction, no matter what resolution is used afterwards
(e.g. during the optimisation)
IMPROVEMENTS
* More efficient random moves for molecules, particularly for
large molecules or with flexible cycles.
* Better automatic changes of temperature for parallel tempering
* Linux: enable compilation using "make -jN" (j2, j4...)
* Nicer atom drawing. Force double buffering
BUG FIXES
* Fixed incorrect formula for sample displacement
* Linux: avoid lock of optimisation when 3D view is opened
* Correct monoclinic indexing
* Fix issue with manual auto-indexing
* Disable auto-check for updates (could crash under Linux when no
network can be reached)
The full list of changes can be read on:
http://objcryst.sourceforge.net/Fox/Changelog
--
Vincent Favre-Nicolin
Université Joseph Fourier
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net
|
