trj2xyz: Convert Trajectory to xyz
In SOMMD: Self Organising Maps for the Analysis of Molecular Dynamics Data
trj2xyz 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)
SOMMD documentation built on Oct. 2, 2024, 5:07 p.m.
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| trj2xyz | 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)
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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