Cargando…

Fast determination of the optimal rotational matrix for macromolecular superpositions

Finding the rotational matrix that minimizes the sum of squared deviations between two vectors is an important problem in bioinformatics and crystallography. Traditional algorithms involve the inversion or decomposition of a 3 × 3 or 4 × 4 matrix, which can be computationally expensive and numerical...

Descripción completa

Detalles Bibliográficos
Autores principales: Liu, Pu, Agrafiotis, Dimitris K, Theobald, Douglas L
Formato: Texto
Lenguaje:English
Publicado: Wiley Subscription Services, Inc., A Wiley Company 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2958452/
https://www.ncbi.nlm.nih.gov/pubmed/20017124
http://dx.doi.org/10.1002/jcc.21439