[R] Performing Principal Cluster Analysis, k-means clustering etc. with PDB/DCD trajectory

[David L Carlson]

A Google search turns up a possible place to start.

Trajectory Analysis with Bio3D
Bio3D1 is an R package that provides interactive tools for the analysis of bimolecular structure, sequence and simulation data. The aim of this document, termed a vignette2 in R parlance, is to provide a brief task-oriented introduction to basic molecular dynamics trajectory analysis with the Bio3D R package (Grant et al. 2006).

http://thegrantlab.org/bio3d/tutorials/trajectory-analysis

-------------------------------------
David L Carlson
Department of Anthropology
Texas A&M University
College Station, TX 77840-4352


-----Original Message-----
From: R-help [mailto:r-help-bounces at r-project.org] On Behalf Of Sourav Ray
Sent: Wednesday, July 6, 2016 3:04 PM
To: R-help at r-project.org
Subject: [R] Performing Principal Cluster Analysis, k-means clustering etc. with PDB/DCD trajectory

Hello

If someone knows how to convert an MD trajectory into a format acceptable
to R or has done any of the above analyses, please let me know.

Thanks and regards
Sourav

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