A software system for rigid-body modelling of solution scattering data

Citation
Mb. Kozin et Di. Svergun, A software system for rigid-body modelling of solution scattering data, J APPL CRYS, 33(1), 2000, pp. 775-777
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF APPLIED CRYSTALLOGRAPHY
ISSN journal
00218898 → ACNP
Volume
33
Issue
1
Year of publication
2000
Part
3
Pages
775 - 777
Database
ISI
SICI code
0021-8898(20000601)33:1<775:ASSFRM>2.0.ZU;2-Y
Abstract
A computer system for rigid body modelling against solution scattering data is described. Fast algorithms to compute scattering from a complex of two arbitrary positioned subunits are implemented and coupled with the graphics program ASSA (Kozin, Volkov & Svergun, 1997, J. Appl. Cryst. 30, 811-815). Mutual positions and orientations of the subunits (represented by low-reso lution envelopes or by atomic models) can be determined by interactively fi tting the experimental scattering curve from the complex. The system runs o n the major Unix platforms (SUN, SGI and DEC workstations).