Re: [Objcryst-foxx] News for FOX, ECM29

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

	Dear all,

    I sent the wrong (private) link for the beta version. You can get it at:
https://cloud.vincefn.net/index.php/s/w6zyL0NGzGs6NMU <https://cloud.vincefn.net/index.php/s/w6zyL0NGzGs6NMU>
(the https certificate is self-signed so your browser will probably warn you)

    For Robert: this version also allows to hide/show hydrogens in the 3D crystal view (use the right-click popup-menu).

		Best,
			Vincent

> Le 25 août 2015 à 14:29, Vincent Favre-Nicolin <vin...@uj...> a écrit :
> 
> 		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).

-- 
Vincent Favre-Nicolin

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

Director, HERCULES school 		 http://hercules-schoool.eu <http://hercules-schoool.eu/>

Institut Nanosciences & Cryogénie	 http://inac.cea.fr <http://inac.cea.fr/>
CEA Grenoble             
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38054 Grenoble Cedex 9 - France

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

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