From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Tue Jul 05 2011 - 09:57:50 CDT
> Someone please suggest me any tool to cluster conformations based on
> dihedral angle.
Carma can do dihedral PCA and then use the trajectory's projection on
the top three eigenvectors to perform a rudimentary cluster analysis. If
three principal components are not enough [see the Altis, Otten, Nguyen,
Hegger & Stock (2008) paper], or you want to assign each and every frame
to a cluster, have a look at the second link shown below.
-- Dr Nicholas M. Glykos, Department of Molecular Biology and Genetics, Democritus University of Thrace, University Campus, Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620, Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:32 CST