Saxs2shapes software

The programs pyPr and SHAPES are distributed as Python scripts and may be run on any computer on which a Python interpreter is installed. Both programs are available under the terms and conditions of the GNU GPLv3 software license. Downloads are in the form of zipped folders containing the progams and associated files. Note that some browsers may have content blocking options set to prevent the download of compressed files.

The pyPr program computes a pair distribution function, P(r), using a direct transform of the x-ray solution scattering data.

Download pyPr 1.0
The zipped file contains the pyPr program, the software license, and an example command file.

pyPr user guide

Example pyPr data and results

A paper describing pyPr is in preparation.

The SHAPES program is intended for rapid and robust reconstruction of protein molecular envelopes from x-ray solution scattering data.

Download SHAPES 1.3
The zipped file contains the SHAPES program, the software license, and an example command file.

SHAPES user guide

Example SHAPES data and results

The paper (PDF here) describing the SHAPES program as published in the Journal of Applied Crystallography, 2019, Volume 52, pages 937-944