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The use of structure factors to find the origin of an oriented molecular fragment

The use of structure factors to find the origin of an oriented molecular fragment When a molecular fragment has a known orientation, it is possible test rapidly all possible positions in the unit cell for this fragment by calculating structure factors at each position for a moderately large number of reflexions. A program, LOCOFOROM, has been written for this purpose and application to two structures is discussed. 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

The use of structure factors to find the origin of an oriented molecular fragment

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The use of structure factors to find the origin of an oriented molecular fragment

Rae, A.D
Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography , Volume 33 (3): 423 – May 1, 1977

Abstract

When a molecular fragment has a known orientation, it is possible test rapidly all possible positions in the unit cell for this fragment by calculating structure factors at each position for a moderately large number of reflexions. A program, LOCOFOROM, has been written for this purpose and application to two structures is discussed.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1977 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739477001107
Publisher site
See Article on Publisher Site

Abstract

When a molecular fragment has a known orientation, it is possible test rapidly all possible positions in the unit cell for this fragment by calculating structure factors at each position for a moderately large number of reflexions. A program, LOCOFOROM, has been written for this purpose and application to two structures is discussed.

Journal

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

Published: May 1, 1977

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