Eckart axis conditions and the minimization of the root-mean-square deviation: Two closely related problems

Konstantin N. Kudin; Anatoly Y. Dymarsky

doi:10.1063/1.1929739

Eckart axis conditions and the minimization of the root-mean-square deviation: Two closely related problems

Konstantin N. Kudin
, Anatoly Y. Dymarsky

Producción científica: Article › revisión exhaustiva

62 Citas (Scopus)

Resumen

We highlight the fact that the rotation matrix minimizing the root-mean-square deviation between two molecular conformations [W. Kabsch, Acta Cryst. A32, 922 (1976)] also satisfies the Eckart axis conditions [C. Eckart, Phys. Rev. 47, 552 (1935)].

Idioma original	English
Número de artículo	224105
Publicación	Journal of Chemical Physics
Volumen	122
N.º	22
DOI	https://doi.org/10.1063/1.1929739
Estado	Published - jun 8 2005

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Eckart axis conditions and the minimization of the root-mean-square deviation: Two closely related problems",

abstract = "We highlight the fact that the rotation matrix minimizing the root-mean-square deviation between two molecular conformations [W. Kabsch, Acta Cryst. A32, 922 (1976)] also satisfies the Eckart axis conditions [C. Eckart, Phys. Rev. 47, 552 (1935)].",

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AB - We highlight the fact that the rotation matrix minimizing the root-mean-square deviation between two molecular conformations [W. Kabsch, Acta Cryst. A32, 922 (1976)] also satisfies the Eckart axis conditions [C. Eckart, Phys. Rev. 47, 552 (1935)].

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UR - https://www.scopus.com/pages/publications/20544436144#tab=citedBy

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Eckart axis conditions and the minimization of the root-mean-square deviation: Two closely related problems

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