xrmsd function

XRMSD plot in heatmap style

Plots an heatmap according to the RMSD values for a 2D snapshot matrix, based on molecular dynamics trajectories.

xrmsd( xrmsdValues,
       printLegend = TRUE,
       xaxisRange = NA,
       yaxisRange = NA,
       colours = NA,
       rmsdUnit = "nm",
       barePlot = FALSE,
       ... )

Arguments

• xrmsdValues: Input matrix (three rows: x-values, y-values, RMSD-value). Can be generated by function load_xrmsd().
• printLegend: If TRUE, a legend is printed on the right hand side of the plot.
• xaxisRange: A vector of boundaries for the x-snapshots.
• yaxisRange: A vector of boundaries for the y-snapshots.
• colours: A vector with colour names for the span palette.
• rmsdUnit: Specifies, in which unit the RMSD values are given.
• barePlot: Boolean, indicating whether the plot is to be made without any additional information.
• ...: Additional arguments (ellipsis).

Returns

This function does not return data.

Examples

# GROMOS (see load_xrmsd() for other input possibilities)
xrmsd( load_xrmsd( system.file( "extdata/xrmsd_example.txt.gz",
                                package = "MDplot" ),
                   factor = 10000 ) )

Author(s)

Christian Margreitter