Ontology highlight
ABSTRACT:
SUBMITTER: Afonine PV
PROVIDER: S-EPMC2712840 | biostudies-literature | 2009 Aug
REPOSITORIES: biostudies-literature
Afonine Pavel V PV Grosse-Kunstleve Ralf W RW Urzhumtsev Alexandre A Adams Paul D PD
Journal of applied crystallography 20090716 Pt 4
Rigid-body refinement is the constrained coordinate refinement of one or more groups of atoms that each move (rotate and translate) as a single body. The goal of this work was to establish an automatic procedure for rigid-body refinement which implements a practical compromise between runtime requirements and convergence radius. This has been achieved by analysis of a large number of trial refinements for 12 classes of random rigid-body displacements (that differ in magnitude of introduced error ...[more]