MDplot (version 1.0.1)

load_rmsd: Loading function for rmsd()

Description

Returns a list of vector pairs of datapoint indices and RMSD values.

Usage

load_rmsd( files,
           mdEngine = "GROMOS" )

Arguments

files

Vector of paths to input text files.

mdEngine

Argument distinguishes between input formats based on the molecular dynamics engine used. Currently available: "GROMOS", "GROMACS" and "AMBER".

Value

A list of vectors, alternately holding indices and their respective values.

Examples

# GROMOS
load_rmsd( c( system.file( "extdata/rmsd_example_1.txt.gz", package = "MDplot" ),
              system.file( "extdata/rmsd_example_2.txt.gz", package = "MDplot" ) ) )

# GROMACS
load_rmsd( c( system.file( "extdata/rmsd_example_GROMACS.txt.gz",
                           package = "MDplot" ) ),
           mdEngine = "GROMACS" )

# AMBER
load_rmsd( c( system.file( "extdata/rmsd_example_AMBER.txt.gz",
                           package = "MDplot" ) ),
           mdEngine = "AMBER" )