Clustangles: An Open Library for Clustering Angular Data.
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.
Institute of Biomedical Sciences, Academia Sinica , Taipei 115, Taiwan.
Karen
K
Sargsyan
Institute of Biomedical Sciences, Academia Sinica , Taipei 115, Taiwan.
Yun Hao
YH
Hua
Institute of Biomedical Sciences, Academia Sinica , Taipei 115, Taiwan.|Department of Chemistry, National Tsing Hua University , Hsinchu 300, Taiwan.
Carmay
C
Lim
D000465:Algorithms; D016000:Cluster Analysis; D030562:Databases, Protein; D056004:Molecular Dynamics Simulation; D025341:Principal Component Analysis; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012984:Software
D011506:Proteins