MDplot (version 0.2)

xrmsd: XRMSD plot in heatmap style

Description

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

Usage

xrmsd( xrmsdValues,
       printLegend = TRUE,
       xaxisRange = NA,
       yaxisRange = NA,
       colours = NA,
       ... )

Arguments

xrmsdValues

Input matrix (three rows: x-values, y-values, RMSD-value). Can be generated by function MDplot::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 (two elements).

yaxisRange

A vector of boundaries for the y-snapshots (two elements).

colours

A vector with colour names for the span palette.

...

Additional arguments (ellipsis).

Examples

# see "extdata/xrmsd_example.txt.gz" for format information
xrmsd( load_xrmsd( system.file( "extdata/xrmsd_example.txt.gz", package = "MDplot" ) ) )