MDplot: Visualising Molecular Dynamics Analyses

Provides automatization for plot generation succeeding common molecular dynamics analyses. This includes straightforward plots, such as RMSD (Root-Mean-Square-Deviation) and RMSF (Root-Mean-Square-Fluctuation) but also more sophisticated ones such as dihedral angle maps, hydrogen bonds, cluster bar plots and DSSP (Definition of Secondary Structure of Proteins) analysis. Currently able to load GROMOS, GROMACS and AMBER formats, respectively.

Version: 1.0.1
Depends: R (≥ 3.0.0), methods, MASS, RColorBrewer, gplots, gtools
Suggests: R.rsp
Published: 2017-07-04
DOI: 10.32614/CRAN.package.MDplot
Author: Christian Margreitter [aut, cre], Chris Oostenbrink [aut]
Maintainer: Christian Margreitter <christian.margreitter at>
License: GPL-3
NeedsCompilation: no
Citation: MDplot citation info
Materials: NEWS
CRAN checks: MDplot results


Reference manual: MDplot.pdf
Vignettes: MDplot (The R Journal publication)


Package source: MDplot_1.0.1.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): MDplot_1.0.1.tgz, r-oldrel (arm64): MDplot_1.0.1.tgz, r-release (x86_64): MDplot_1.0.1.tgz, r-oldrel (x86_64): MDplot_1.0.1.tgz
Old sources: MDplot archive


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