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Small-angle scattering software tools

Small-angle scattering (SAS) is a powerful technique to characterize biological macromolecules in solution. Both small-angle X-ray and neutron scattering (SAXS and SANS) enable the study of three-dimensional macromolecular shapes across a broad size…
pyDockSAXS
Web

pyDockSAXS

A web server for rigid-body protein-protein docking that combines computational…

A web server for rigid-body protein-protein docking that combines computational and experimental information. On one side the server uses the new version of pyDock (pyDock 3.0) to energetically…

WAXSiS
Web

WAXSiS WAXS in solvent

Computes small- and wide-angle X-ray scattering curves based on…

Computes small- and wide-angle X-ray scattering curves based on explicit-solvent all-atom molecular dynamics simulations. Unlike other web servers, WAXSiS is based on explicit-solvent molecular…

SASBDB
Dataset

SASBDB Small-Angle Scattering Biological Data Bank

A comprehensive repository of freely accessible and fully searchable…

A comprehensive repository of freely accessible and fully searchable small-angle scattering (SAS) experimental data and models that are deposited together with the relevant experimental conditions,…

SASpy
Desktop

SASpy

A PyMOL plugin that provides an easy-to-use graphical interface for SAXS-based…

A PyMOL plugin that provides an easy-to-use graphical interface for SAXS-based hybrid modeling. Through a few mouse clicks in SASpy, low-resolution models can be superimposed to high-resolution…

DARA
Web

DARA

A web-server, that queries over 150 000 scattering profiles pre-computed from…

A web-server, that queries over 150 000 scattering profiles pre-computed from the high resolution models of macromolecules and biological assemblies in the Protein Data Bank (PDB), to rapidly find…

FoXS
Desktop
Web

FoXS Fast X-Ray Scattering

A rapid method for computing a SAXS profile of a given structure and for…

A rapid method for computing a SAXS profile of a given structure and for matching of the computed and experimental profiles. FoXS also provides an optimization of the hydration layer density as well…

AquaSAXS
Web

AquaSAXS

Allows structural biologists to compare their SAXS data to the theoretical one…

Allows structural biologists to compare their SAXS data to the theoretical one for a model given as a PDB or PQR file. AquaSAXS takes advantage of recently developed methods, such as AquaSol, that…

DATASW
Desktop

DATASW

A tool for rapid processing of HPLC-SAXS data. DATASW performs averaging of…

A tool for rapid processing of HPLC-SAXS data. DATASW performs averaging of individual data frames from HPLC-SAXS experiments using a sliding window of a user-specified size, calculates overall…

AllosMod-FoXS
Web

AllosMod-FoXS

Combines the AllosMod and FoXS web servers. AllosMod-FoXS allows various…

Combines the AllosMod and FoXS web servers. AllosMod-FoXS allows various sampling algorithms from AllosMod to generate structures that are directly imputed into FoXS for small angle X-ray scattering…

SAXSTER
Web

SAXSTER

Uses small-angle x-ray scattering (SAXS) data to improve template-based protein…

Uses small-angle x-ray scattering (SAXS) data to improve template-based protein structure prediction. The strategy first extracts the SAXS profiles from Cα-based template alignments using an…

FoXSDock
Desktop
Web

FoXSDock

An efficient method for protein-protein docking with a SAXS profile: generation…

An efficient method for protein-protein docking with a SAXS profile: generation of complex models by rigid global docking with PatchDock, filtering of the models based on the SAXS profile, clustering…

Pepsi-SAXS
Desktop

Pepsi-SAXS Polynomial Expansions of Protein Structures and Interactions-SAXS

A new implementation of the multipole-based scheme initially proposed by…

A new implementation of the multipole-based scheme initially proposed by Stuhrmann (Stuhrmann, 1970). Overall, our method is significantly faster and more accurate compared to Crysol, FoXS, and the…

SASSIM
Desktop

SASSIM

Calculates efficiently small-angle neutron and X-ray solution scattering…

Calculates efficiently small-angle neutron and X-ray solution scattering intensities from explicit-atom models of macromolecules and the surrounding solvent. SASSIM is based on a multipole expansion…

Scatter
Desktop

Scatter

An application for the analysis of small-angle X-ray (SAXS) and neutron…

An application for the analysis of small-angle X-ray (SAXS) and neutron scattering (SANS) curves and patterns of nano- and mesoscopically structured materials such as surfactant, lipid and polymeric…

CRYSOL
Desktop
Web

CRYSOL

A program for evaluating the solution scattering from macromolecules with known…

A program for evaluating the solution scattering from macromolecules with known atomic structure and fitting it to experimental scattering curves from Small-Angle X-ray Scattering (SAXS). CRYSOL uses…

Fast-SAXS
Desktop

Fast-SAXS

A software tool for small-angle X-ray scattering of proteins. The Fast-SAXS…

A software tool for small-angle X-ray scattering of proteins. The Fast-SAXS method is built within the framework of the Debye formalism. Notably, in addition to the introduction of CG structure…

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