MDplot (version 0.3.1)

hbond: Plot hydrogen bond summary

Description

This function plots the summary output of hydrogen bond calculations and allows selection of donor and acceptor residues and atoms. Occurence over the whole trajectory is indicated by a colour scale. A legend indicating the colour scale can be printed.

Usage

hbond( hbonds, plotMethod = "residue-wise", acceptorRange = NA, donorRange = NA, printLegend = TRUE, barePlot = FALSE, ... )

Arguments

hbonds

Table containing the hydrogen bond information in the columns hbondID, resDonor, resDonorName, resAcceptor, resAcceptorName, atomDonor, atomDonorName, atomH, atomAcceptor, AtomAcceptorName, percentage (automatically generated by function load_hbond()).

plotMethod

Allows to set the detail of hbond information displayed. Options are:

acceptorRange

Vector, specifying which range of acceptor residues is used.

donorRange

Vector, specifying which range of donor residues is used.

printLegend

Boolean, used to print or hide the legend for the occurences.

barePlot

Boolean, indicating whether the plot is to be made without any additional information.

...

Additional arguments (ellipsis).

Examples

# see "extdata/hbond_example.txt.gz" for format information
hbond( load_hbond( system.file( "extdata/hbond_example.txt.gz",
                                package = "MDplot" ) ) )