/xFrame

A framework for scientific algorithms targeting X-ray scattering

Primary LanguagePythonMozilla Public License 2.0MPL-2.0

Lates Release License Documentation Documentation Language

Introduction

The main objective of xFrame is to provide an easy and flexible framwork that handles details such as

  • Data storage / File access
  • Settings management
  • Multiprocessing
  • GPU access

Allowing users to focus on the "scientific" part of their algorithm.
xFrame has been created during our quest of writing a toolkit for fluctuation X-ray scattering. To install xFrame simply call

pip install xframe
# For the fluctuation scattering toolkit use the following command instead (see next section)
pip install 'xframe[fxs]'

For more information and tutorials visit the documentaiton at xframe-fxs.readthedocs.io

Fluctuation X-Ray Scattering Toolkit [fxs]

The project fxs comes bundled with xFrame and provides a workflow for 3D structure determination from fluctuation X-ray scattering data.

Note: No data is required to perform test reconstructions, further information as well as tutorials can be found at xframe-fxs.readthedocs.io/en/latest/fxs

To install xFrame together with the dependencies needed by fxs simply call

pip install 'xframe[fxs]'

please make sure that the following libraries are installed on your system before calling pip install

Citation

If you find this piece of software usefull for your scientific project consider citing the paper

A workflow for single-particle structure determination via
iterative phasing of rotational invariants in fluctuation X-ray scattering

T. Berberich, S. Molodtsov, R. Kurta
Journal of Applied Crystallography | Volume 57 | Part 2 | April 2024
(https://doi.org/10.1107/S1600576724000992)