Clustangles: An Open Library for Clustering Angular Data.
J Chem Inf Model
; 55(8): 1517-20, 2015 Aug 24.
Article
en En
| MEDLINE
| ID: mdl-26262955
Dihedral angles are good descriptors of the numerous conformations visited by large, flexible systems, but their analysis requires directional statistics. A single package including the various multivariate statistical methods for angular data that accounts for the distinct topology of such data does not exist. Here, we present a lightweight standalone, operating-system independent package called Clustangles to fill this gap. Clustangles will be useful in analyzing the ever-increasing number of structures in the Protein Data Bank and clustering the copious conformations from increasingly long molecular dynamics simulations.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Proteínas
Idioma:
En
Revista:
J Chem Inf Model
Asunto de la revista:
INFORMATICA MEDICA
/
QUIMICA
Año:
2015
Tipo del documento:
Article
País de afiliación:
Taiwán
Pais de publicación:
Estados Unidos