Fwd: Fox new release and pyobjcryst announcement

[Simon Billinge]

cross-posting.  Thanks Vincent.   This is a really wonderful resource.

---------- Forwarded message ---------
From: Vincent Favre-Nicolin <fa...@esrf.fr>
Date: Tue, Aug 23, 2022 at 11:53 AM
Subject: Fox new release and pyobjcryst announcement
To: <rietv...@ill.fr>

Dear colleagues,

It’s been a long time, but there is a new version of Fox with a few changes, available from:

https://github.com/vincefn/objcryst/releases

(better COD access, improved indexing, cylindrical absorption correction..)

More importantly, I would like to advertise pyobjcryst, which is the python interface with most of the features from Fox available in a python notebook.

This allows to perform data analysis in a web browser:

• viewing crystal structures (from CIF,..)
• simulating diffraction data
• indexing powder patterns
• solving structures with the usual Monte-Carlo/Parallel tempering algorithms
• ...

See some examples of notebooks at:

https://pyobjcryst.readthedocs.io/en/latest/examples/index.html

Full documentation from https://pyobjcryst.readthedocs.io/en/latest/index.html

pyobjcryst was initially developed by the diffpy project (https://www.diffpy.org/)

For those attending ECM33, I’ll be presenting pyobjcryst later this week - see you in Versailles !

Best wishes,

Vincent

-- 
Vincent Favre-Nicolin

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

ESRF-The European Synchrotronhttp://www.esrf.eu

71, Avenue des Martyrs
Grenoble, France

Group head, Algorithms & scientific Data Analysis

Tel: +33 4 76 88 28 11

On leave from Univ. Grenoble Alpes

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--

Simon Billinge

Professor, Columbia University

Physicist, Brookhaven National Laboratory