The DOI matches its Crossref record.
A solution for the best rotation to relate two sets of vectors
Abstract
A simple procedure is derived which determines a best rotation of a given vector set into a second vector set by minimizing the weighted sum of squared deviations. The method is generalized for any given metric constraint on the transformation.
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Pérez-Hernández, G., Paul, F., Giorgino, T., De Fabritiis, G., & Noé, F. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4811489 · Cited by 990
“A metric often used in (2) is the normalized Euclidean metric after rigid-body translation and rotation has been removed, in short the minimal RMSD (or least RMSD) metric [39].”
BackgroundMethodMardirossian, N., & Head-Gordon, M. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp54374a · Cited by 986
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Hayes, T., Rao, R., Akin, H., Sofroniew, N. J., Oktay, D., Lin, Z., Verkuil, R., Tran, V. Q., Deaton, J., Wiggert, M., et al. (2025) · Science · doi:10.1126/science.ads0018 · Cited by 937
Metadata
- Authors
- Kabsch, W.
- Venue
- Acta Crystallographica Section A
- Published
- 1976-09-01
- Volume
- 32
- Issue
- 5
- Pages
- 922-923
- ISSN
- 0567-7394 (ISSN-L)
- OpenAlex
- W2136567909
- Cited by
- 3,187
- References
- 0
- FWCI
- 1.92
- Type
- journal article
- Language
- en
- Open access
- closed
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- Kabsch, W. (1976). A solution for the best rotation to relate two sets of vectors. Acta Crystallographica Section A. https://doi.org/10.1107/s0567739476001873
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
