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CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged… Expand
Determination of the regularization parameter in indirect-transform methods using perceptual criteria
- D. Svergun
- 1 August 1992
A method is proposed for the determination of the optimum value of the regularization parameter (Lagrange multiplier) when applying indirect transform techniques in small-angle scattering data… Expand
Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing.
- D. Svergun
- Chemistry, Medicine
- Biophysical journal
- 1 June 1999
Application of the method is illustrated by the restoration of a ribosome-like model structure and more realistically by the determination of the shape of several proteins from experimental x-ray scattering data. Expand
PRIMUS: a Windows PC-based system for small-angle scattering data analysis
A program suite for one-dimensional small-angle scattering data processing running on IBM-compatible PCs under Windows 9x/NT/2000/XP is presented and PRIMUS enables model-independent singular value decomposition or linear fitting if the scattering from the components is known. Expand
DAMMIF, a program for rapid ab-initio shape determination in small-angle scattering
DAMMIF, an enhanced and significantly faster implementation of the ab-initio shape-determination program DAMMIN for small-angle scattering data, is presented.
Determination of domain structure of proteins from X-ray solution scattering.
The new method substantially improves the resolution and reliability of models derived from scattering data and makes solution scattering a useful technique in large-scale structural characterization of proteins. Expand
Uniqueness of ab initio shape determination in small-angle scattering
Scattering patterns from geometrical bodies with different shapes and anisometry (solid and hollow spheres, cylinders, prisms) are computed and the shapes are reconstructed ab initio using envelope… Expand
New developments in the ATSAS program package for small-angle scattering data analysis
- M. Petoukhov, D. Franke, +7 authors D. Svergun
- Computer Science, Medicine
- Journal of applied crystallography
- 15 March 2012
The paper presents new developments and amendments to the ATSAS package (version 2.4) for processing and analysis of isotropic small-angle scattering data.
Structural characterization of flexible proteins using small-angle X-ray scattering.
- P. Bernadó, E. Mylonas, M. Petoukhov, M. Blackledge, D. Svergun
- Chemistry, Medicine
- Journal of the American Chemical Society
- 6 April 2007
A new approach, ensemble optimization method (EOM), is proposed to quantitatively characterize flexible proteins in solution using small-angle X-ray scattering (SAXS), and is able to distinguish between rigid and flexible proteins and to directly assess the interdomain contacts. Expand
Global rigid body modeling of macromolecular complexes against small-angle scattering data.
New methods to automatically build models of macromolecular complexes from high-resolution structures or homology models of their subunits or domains against x-ray or neutron small-angle scattering data are presented and allow one to construct interconnected models without steric clashes. Expand