Presentation of FreeSAS

FreeSAS is a Python package with small angles scattering tools in a MIT type license. It provides:

• autorg: Automatic radius of gyration assessment based on Guinier law

• cormap: Comparison of a set of (saxs) curves to decide if they are the same or not

• bift: Bayesian inverse fourier transform

• supcomb: overlay and averaging of dummy-atom models

• extract_ascii: a tool to extract .dat files from HDF5 files provided at ESRF-BM29

Introduction

FreeSAS has been write as a re-implementation of some ATSAS parts in Python for a better integration in the BM29 ESRF beam-line processing pipelines. It provides functions to read SAS data from pdb files and to handle them. Parts of the code are written in Cython and parallelized to speed-up the execution.

FreeSAS code is available on Github at https://github.com/kif/freesas .

Usage

• Correlation map
• Guinier fit
• Inverse Fourier Transform
• Bead model alignment
  • The SASModel class
  • The AlignModels class
• SuPyComb script
• Quick Analysis

Project

• Installation
• Tests
• Test coverage report for freesas
• Change-log