ATSAS online | Forum | User information | EMBL Hamburg

Data analysis software ATSAS 3.2.1

A program suite for small-angle scattering data analysis from biological macromolecules

Experimental data processing

PRIMUS - GUI for manipulations and primary analysis of experimental 1D SAS data
CHROMIXS - GUI for visualisation and processing of SEC-SAXS data
GNOM - indirect transform program that evaluates the pair distance distribution function p(r)
Command-line data manipulation and analysis tools - AUTORG, DATGNOM, DATOP etc.

Ab initio modelling

DAMMIN - ab initio shape determination using a "dummy atom" model
DAMMIF - rapid shape determination
GASBOR - reconstruction of a protein structure by a chain-like ensemble of dummy residues
MONSA - shape determination using a multiphase dummy atom model

Rigid body modelling

SASREF - modelling of multisubunit complexes
CORAL - modelling of multidomain protein complexes against multiple data sets
BUNCH - modelling of multidomain proteins against multiple data sets
GLOBSYMM - rigid body modelling of symmetric oligomers

Mixtures and flexible systems

OLIGOMER - volume fractions of mixtures with known scattering intensities from the components
MIXTURE - modelling of multicomponent systems
EOM - Ensemble Optimization Method for flexible and disordered proteins
SREFLEX - flexible normal mode analysis (NMA) refinement of high-resolution protein models
NMATOR - generate RNA/DNA/protein conformations using NMA in dihedral/torsion angle space

Model evaluation and manipulation

CRYSOL - compute solution X-ray scattering patterns from atomic structures, compare/fit to experimental data
CRYSON - compute/fit neutron scattering patterns
CIFSUP - superimpose one atomic or bead model onto another
DAMAVER - align ab initio models, select the most typical one
SASpy - PyMOL plugin, a point-and-click interface for CRYSOL, SUPALM, SASREF, SREFLEX

Manuals

If you use ATSAS please cite:

Manalastas-Cantos, K., Konarev, P.V., Hajizadeh, N.R., Kikhney, A.G., Petoukhov, M.V., Molodenskiy, D.S., Panjkovich, A., Mertens, H.D.T., Gruzinov, A., Borges, C., Jeffries, C.M., Svergun, D.I., Franke, D. (2021)
ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis J. Appl. Cryst. 54, 343-355 DOI

Last modified: September 9, 2022