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.

Getting started

Package details

AuthorChristian Margreitter [aut, cre], Chris Oostenbrink [aut]
MaintainerChristian Margreitter <>
Package repositoryView on CRAN
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MDplot documentation built on May 2, 2019, 7:02 a.m.