trj2xyz {SOMMD} | R Documentation |
Convert Trajectory to xyz
Description
Convert the trj coordinates 3D-array in a 2D matrix.
Usage
trj2xyz(trj, inds = NULL)
Arguments
trj |
an object with class trj |
inds |
indices for the output coordinates |
Value
a xyz matrix with frames on rows and coordinates as columns
Author(s)
Stefano Motta stefano.motta@unimib.it
Examples
#Read trajectory
trj <- read.trj(trjfile = system.file("extdata", "HIF2a-MD.xtc", package = "SOMMD"),
topfile = system.file("extdata", "HIF2a.gro", package = "SOMMD"))
trj2xyz(trj)
[Package SOMMD version 0.1.2 Index]