xrmsd: XRMSD plot in heatmap style

In MDplot: Visualising Molecular Dynamics Analyses

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,
       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).

Value

This function does not return data.

Author(s)

Christian Margreitter

Examples

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

Example output

Loading required package: MASS
Loading required package: RColorBrewer
Loading required package: gplots

Attaching package: 'gplots'

The following object is masked from 'package:stats':

    lowess

Loading required package: gtools

MDplot documentation built on May 2, 2019, 7:02 a.m.