Abstract
We clarify once again that Kabsch's method and the Quaternion method are mathematically equivalent methods, that is, that they contain identical information and, when properly understood and applied, lead to identical answers to any questions regarding least-squares rotational superposition, either by proper rotations or by rotation-reflections. We also provide the correct bounds for the eigenvalue spectrum.
| Original language | English |
|---|---|
| Pages (from-to) | 1663-1665 |
| Number of pages | 3 |
| Journal | Journal of Computational Chemistry |
| Volume | 26 |
| Issue number | 15 |
| DOIs | |
| State | Published - Nov 30 2005 |
Keywords
- Least squares
- Rotational superposition
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