Hi,
There is a new Beta version of Fox available - it features a new
automatic least-squares refinement during and/or at the end of global
optimization runs. This results (according to systematic tests) in an
overall 2x-5x reduction of the time needed to find the structure
solutions, particularly for flexible molecules.
Note that this can lead to intermediate distorted structures, so
make sure to read the updated manual:
http://vincefn.net/Fox/Manual/Algorithm#options
To get be new beta version, you must manually select the file (the
default file for Linux/windows/MacOSX is still the 1.8.2 version), so
you should go to:
https://sourceforge.net/project/showfiles.php?group_id=27546
Please report any issue for this new version !
Vincent
Changelog:
#### 1.8.X (Beta version) - April 2009 (Revision #1143)
NEW FEATURES
* Add automatic least-squares refinement of the structure during
a global optimization run
* Add manual least-squares refinement of the structure in the
global optimization run/stop menu
BUG FIXES
* Correct log(likelihood) calculation using integrated intensities
(could cause invalid Chi^2 values when used without gui)
--
Vincent Favre-Nicolin http://vincefn.net
Université Joseph Fourier http://www.ujf-grenoble.fr
ObjCryst & Fox: http://objcryst.sourceforge.net
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