Key points are not available for this paper at this time.
A common measure of conformational similarity in structural bioinformatics is the minimum root mean square deviation (RMSD) between the coordinates of two macromolecules. In many applications, the rotations relating the structures are not needed. Several common algorithms for calculating RMSDs require the computationally costly procedures of determining either the eigen decomposition or matrix inversion of a 3x3 or 4x4 matrix. Using a quaternion-based method, here a simple algorithm is developed that rapidly and stably determines RMSDs by circumventing the decomposition and inversion problems.
Building similarity graph...
Analyzing shared references across papers
Loading...
Douglas L. Theobald (Thu,) studied this question.
www.synapsesocial.com/papers/69df3ea5acbf09c32e6146d0 — DOI: https://doi.org/10.1107/s0108767305015266
Douglas L. Theobald
Acta Crystallographica Section A Foundations of Crystallography
University of Colorado Boulder
Building similarity graph...
Analyzing shared references across papers
Loading...