[Objcryst-foxx] Fox for Powder v1.1.2 release... & a word about software patents

[Vincent Favre-N. <vi...@us...>]

	Hi all,

   Before going on, I would like that all of you take some time to 
think about the consequences of Software Patents if these are also 
enforced in Europe (they would then be legal more or less worldwide)... 
I've put a few words about this *major* issue on the main 
ObjCryst++/Fox web page. It would be a good thing if the 
scientific community (not negligeable postdocs like me...) was more 
active about this, to compensate the fact that only large corporations 
are being heard in the European Commission so far (the BSA, which is 
essentially a subsidiary of Microsoft, wrote the European draft on 
software patents...)

Note that if software patents are enforced in Europe, I may not be in 
a position secure enough (from the legal point of view) to distribute 
Fox any more.

***************
    There is a new version of Fox, which adds a few features (limit in 
sin(theta)/lambda, inhibit some parameters optimization..) and fixes a 
few bugs (when changing spacegroup/cell parameters, when importing 
z-matrices). An *experimental* option for twinned single crystal data 
is also included.

  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).

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 help me, and have more 
frequent updates. For example, there already is the ability to display 
the enantiomer structure in 3d, but only in the development tree (hint, 
hint).

    Many thanks to those who are already helping!

Changelog:
#### 1.1.2 - 2002/02/18
License changed to the GNU General Public License.
NEW FEATURES
   * Added a maximum value of sin(theta)/lambda for diffraction
     data objects. All data above is ignored.
   * Added an *experimental* option in single crystal data for
     twinned data, to work on the sum of metrically-equivalent
     reflections. Entirely untested (contact me to use it !)
   * Some parameter are automatically fixed for global optimizations
     (unit cell, background & profile parameters).
   * Fox will write a few messages for some key events
     (importing data, creating spacegroup,...)

BUG FIXES
   * The dynamical occupancy correction now begins for interatomic
     distances below 1A, and proceeds to full correction for .1A
     (before that 2 and .8A where used (why?))
   * Spacegroup and Unit Cell values can now be changed even if
     scattering data has already been computed, without crash.
   * Importing a Z-Matrix would give the 3rd and 4th atoms the same
     number, and if atoms were of the same type, both atoms would
     have the same name in the .xml saved file, and would crash
     on reloading. Molecules thus created need to be re-imported.


-- 
Vincent Favre-Nicolin
ESRF- Grenoble, France
http://v.favrenicolin.free.fr
ObjCryst & Fox : http://objcryst.sourceforge.net