[Objcryst-foxx] News for FOX, ECM29

[Vincent Favre-N. <vin...@uj...>]

		Dear all,

	It has been a long time since the last news about Fox !

	There have been few changes these last few years but a number of changes have been introduced these last few months, for a future Fox version. This will include:
- automatically recognizing Molecules and isolated polyhedra from CIF files
- more robust CIF import
- direct search on the Crystallography open Database (search and then double-click to display the file)
- ability to combine several powder diffraction data sets from different temperatures (or any other variable condition) to solve a single crystal structure (it is possible to override the lattice parameters in the powder pattern diffraction
- better flexibility search for Molecules
- 3D display: nicer using transparency, standard atom colors from jmol
- drag & drop files on MacOSX
- the extension for .xml.gz files is now .xmlz

	This is still a beta version, but you can try a pre-release compiled version (windows and MacOSX) from:
https://cloud.vincefn.net/index.php/apps/files/?dir=%2FFox

	Also, you may know that part of the Fox/ObjCryst++ code was interfaced in the python language by Pavol Juhas/Chris Farro/Simon/Billinge to use the crystal structure description in the DiffPy project. A few days ago I added the ability to access diffraction objects and optimization 
 Played around with it and it should soon be also possible to run Fox-type optimization from Python scripts (see for example ‘powder.py’ in https://github.com/vincefn/CrystCompSchool/tree/master/pyObjCryst).

	I am also at ECM29 if you have questions (I was too late to ask for a slot at the sofware Fayre).

		Cheers,
			Vincent
-- 
Vincent Favre-Nicolin                    http://inac.cea.fr

Co-editor, J. Synchrotron Radiation http://journals.iucr.org/s/

Director, HERCULES school http://hercules-school.eu

CEA/Grenoble              Institut Nanosciences & Cryogénie
Laboratoire SP2M/Nano-structures et Rayonnement Synchrotron
17, rue des Martyrs
38054 Grenoble Cedex 9 - France

Université Joseph Fourier        http://www.ujf-grenoble.fr

tél: (+33) 4 38 78 95 40           fax: (+33) 4 38 78 51 38