Computing in macromolecular crystallography using a parallel architecture


Dateien zu dieser Ressource

Prüfsumme: MD5:3dce5b53ebea2108b2aed27a3d2fad33

DIEDERICHS, Kay, 2000. Computing in macromolecular crystallography using a parallel architecture. In: Journal of Applied Crystallography. 33(4), pp. 1154-1161. ISSN 0021-8898. Available under: doi: 10.1107/S002188980000697X

@article{Diederichs2000Compu-8808, title={Computing in macromolecular crystallography using a parallel architecture}, year={2000}, doi={10.1107/S002188980000697X}, number={4}, volume={33}, issn={0021-8898}, journal={Journal of Applied Crystallography}, pages={1154--1161}, author={Diederichs, Kay} }

application/pdf First publ. in: Journal of Applied Crystallography 33 (2000), pp. 1154-1161 2011-03-24T17:46:36Z 2011-03-24T17:46:36Z Despite advances in computer technology, computing in macromolecular crystallography keeps pace in its demand for CPU power. Improvements in CPU speed, together with advances in computing methods that depend on it, often translate into the possibility to solve structures that would otherwise require additional experiments. Programs for data reduction, molecular-replacement programs employing multidimensional searches on a grid in real, Patterson or reciprocal space, and phasing and refinement programs, currently have, among others, the highest requirements for CPU power. For these and other programs, speed-up of calculations as a result of parallel execution on multiprocessor computers is possible. This paper outlines the use of the OpenMP programming interface and reports its successful application for parallelization of ESSENS [Kleywegt & Jones (1997). Acta Cryst. D53, 179-185] and SHELXL [Schneider & Sheldrick (1997). Methods Enzymol. 277, 319-343]. Parallel computing, which is possible as a result of the inherent parallelism of crystallographic algorithms, extends the range of problems in macromolecular crystallography that programs can be applied to and can significantly reduce the time required for progressing from a data set to a refined model. terms-of-use Computing in macromolecular crystallography using a parallel architecture Diederichs, Kay 2000 Diederichs, Kay eng

Dateiabrufe seit 01.10.2014 (Informationen über die Zugriffsstatistik)

Computing_in_macromolecular_crystallography_using_a_parallel_architecture.pdf 198

Das Dokument erscheint in:

terms-of-use Solange nicht anders angezeigt, wird die Lizenz wie folgt beschrieben: terms-of-use

KOPS Suche


Mein Benutzerkonto