Software

Note: original URL appears broken as of migration date.Analysis of SAXS, ASAXS, and GISAXS data using distorted-wave Born approximation. French and English versions. NB: requires Java.

An extensive and widely used program suite for the analysis of small-angle scattering data from biological macromolecules, developed at EMBL Hamburg. It covers data processing (PRIMUS), P(r) determination (GNOM), ab-initio shape reconstruction (DAMMIF/DAM…

Fits solution X-ray scattering (SAXS) data to atomistic models of proteins, nucleic acids and their complexes using explicit water modelling of the hydration layer and excluded solvent (Grishaev and Bax, NIH). By restricting the adjustable parameters it d…

A SAXS-oriented data-reduction and display tool built on MATLAB, part of Michael Sztucki's SAXSutilities. It supports interactive reduction, plotting and inspection of small-angle scattering data.

An open-source program for reduction and analysis of biological small-angle X-ray scattering (BioSAXS) data, taking measurements all the way from 2D detector images to structural parameters. It covers radial integration, buffer subtraction, Guinier/Rg and…

An open-source framework for simulating and fitting X-ray and neutron grazing-incidence small-angle scattering (GISAS), as well as reflectometry and off-specular scattering, using the distorted-wave Born approximation. It provides a C++ core with Python b…

A Windows version of the CCP13 program BSL, providing interactive manipulation and processing of two-dimensional small-angle X-ray scattering and fibre-diffraction image data. Developed in the context of muscle and fibre-diffraction studies.

A CCP13 program for interactive manipulation of 2D image data, providing a common data format and processing step in the fibre-diffraction and small-angle scattering workflow.

A joint US/UK open-source software infrastructure for atomistic and coarse-grained modelling of small-angle scattering data from biological and soft-matter systems. It links experimental SAS data to structural models through molecular simulation, incorpor…

A CCP13 utility for unit-cell (lattice) refinement from fibre-diffraction data.

A CCP13 program that computes one- and three-dimensional density correlation functions from small-angle scattering data, used to extract lamellar and semicrystalline morphology parameters.

A Java build of the CCP13 CORFUNC program, computing 1D and 3D density correlation functions and adsorbed-layer segment-density distributions from small-angle scattering data.

High-performance software for simulating small-angle scattering from a wide range of particle shapes and lattices. It supports geometries such as spheres, cylinders and discs in homogeneous or core-shell form and offers GPU (CUDA) acceleration; developed …

A reciprocal-grid-based program for modelling solution X-ray scattering from supramolecular structures at different levels of spatial resolution (Raviv group, Hebrew University of Jerusalem). It efficiently computes scattering from hierarchical assemblies…

A graphical interface for analysing data from two-dimensional X-ray detectors (wire, image-plate and CCD), suitable for small-angle scattering as well as powder diffraction and diffuse scattering. It provides masking, calibration and azimuthal/radial inte…

DAWN (Data Analysis WorkbeNch) is an open-source, Eclipse-based application for analysis and visualisation of synchrotron and scattering data, including SAXS/WAXS. It provides 1D/2D/3D visualisation, detector calibration, configurable processing pipelines…

Note: original URL appears broken as of migration date.Deep learning method based on the auto-encoder framework for model reconstruction from small angle scattering data

Performs ab-initio low-resolution shape reconstruction of monodisperse biological macromolecules from SAXS or SANS data (similar to DAMMIN in ATSAS), but explicitly including the contribution of the molecular hydration layer. Version 2 extends the method …

Calculates three-dimensional electron-density maps directly from one-dimensional solution scattering (SAXS) data, without assuming a bead model. It is available as a Python package and as the DENSSWeb online server, and can align and average multiple reco…

Bruker's diffraction software (now DIFFRAC.SAXS) for qualitative and quantitative analysis of one- and two-dimensional small-angle X-ray scattering data collected on Bruker instruments.

Simulates X-ray fibre diffraction from helical and fibrous assemblies and refines fibril models against experimental diffraction data, including the effects of orientational disorder. Part of the FiberNet fibre-diffraction software collection.

DPDAK (Directly Programmable Data Analysis Kit) is open-source, plugin-based software for fast on-line and off-line reduction and analysis of large SAXS and GISAXS data sets, developed at DESY/PETRA III. Its modular pipeline supports automated batch proce…

A small CCP13 utility that calculates and sorts d-spacings.

Malvern Panalytical's software for analysis of small-angle X-ray scattering (SAXS) data, providing nanoscale structure information such as particle size and shape distributions, specific surface area and pair-distance distributions from measurements on th…

A component of the SAXSutilities package (M. Sztucki, ESRF) for processing and display of 2D SAXS images in the ESRF EDF format. It is used to inspect detector images, define the beam centre and masks, and perform azimuthal regrouping to 1D profiles.