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Rapid comparison of protein structures

Rapid comparison of protein structures An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in on-line graphics systems. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Rapid comparison of protein structures


Abstract

An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in on-line graphics systems.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1982 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739482001806
Publisher site
See Article on Publisher Site

Abstract

An unusually fast method of superposing two sets of atomic coordinates for related molecular structures by least squares is described. It exploits the special nature of the problem and uses the method of conjugate gradients. The calculation takes about 0.003 s and is fast enough to be used in on-line graphics systems.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: Nov 1, 1982

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