Visualising Molecular Dynamics Analyses


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Documentation for package ‘MDplot’ version 0.3.1

Help Pages

clusters Cluster bar plot
clusters_ts Cluster timeseries plot
dssp_summary DSSP summary plot for secondary structure elements (proteins)
dssp_ts DSSP timeseries plot for secondary structure elements (proteins)
hbond Plot hydrogen bond summary
hbond_ts Plot hydrogen bond timeseries
load_clusters Loading cluster information
load_clusters_ts Loading timeseries cluster information
load_dssp_summary Load DSSP information
load_dssp_ts Load DSSP timeseries
load_hbond Loading hydrogen bonds
load_hbond_ts Loading hydrogen bonds timeseries
load_ramachandran Load dihedral information (Ramachandran plot input)
load_rmsd Loading function for 'rmsd()'
load_rmsf Loading function for 'rmsf()'
load_TIcurve Loading function for thermodynamic integration function 'TIcurve()'
load_timeseries Loading function for 'timeseries()'
load_xrmsd Loading function for 'xrmsd()'
MDplot_argument Arguments for bash script interface
MDplot_argument-class Arguments for bash script interface
ramachandran Ramachandran plot for two dihedral angles
rmsd Root-mean-square-deviation plot
rmsf Root-mean-square-fluctuation plot
TIcurve Thermodynamic integration plot
timeseries General timeseries plotting function
translate_aminoacids Function to translate between canonical and GROMOS amino acid abbreviations
xrmsd XRMSD plot in heatmap style