MASSHA -: a graphics system for rigid-body modelling of macromolecular complexes against solution scattering data

被引：124

作者：

Konarev, PV

Petoukhov, MV

Svergun, DI

机构：

[1] DESY, European Mol Biol Lab, D-22603 Hamburg, Germany

[2] Russian Acad Sci, Inst Crystallog, Moscow 117333, Russia

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2001年 / 34卷

关键词：

D O I：

10.1107/S0021889801006100

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A program, MASSHA, for three-dimensional rendering and rigid-body refinement is presented. The program allows display and manipulation of high-resolution atomic structures and low-resolution models represented as smooth envelopes or ensembles of beads. MASSHA is coupled with a computational module to align structural models of different nature and resolution automatically. The main feature is the possibility for rigid-body refinement of the quaternary structure of macromolecular complexes. If high- or low-resolution models of individual subunits are available, the complex can be constructed on the computer display and refined to rt the experimental solution scattering data. MASSHA provides both interactive and automated refinement modes to position subunits in a heterodimeric complex (general case) and in a homodimeric complex with a twofold symmetry axis. Examples of application of the program (running on IBM PC compatible machines under Windows 9x/NT/ 2000) are given.

引用

页码：527 / 532

页数：6

共 35 条

[1] Crystal structure of the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from the yeast Saccharomyces cerevisiae at 2.3 angstrom resolution [J].