Package: MDplot 1.1.3

Christian Margreitter

MDplot: Visualising Molecular Dynamics Analyses

Provides automatisation 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.

Authors:Christian Margreitter [aut, cre], Chris Oostenbrink [aut]

MDplot_1.1.3.tar.gz
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MDplot.pdf |MDplot.html✨
MDplot/json (API)
NEWS

# Install 'MDplot' in R:
install.packages('MDplot', repos = c('https://mdplot.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/mdplot/mdplot/issues

On CRAN:

Conda:

6.46 score 27 stars 36 scripts 233 downloads 6 mentions 47 exports 7 dependencies

Last updated 3 years agofrom:3f4324a7e2. Checks:1 OK, 8 WARNING. Indexed: yes.

TargetResultLatest binary
Doc / VignettesOKMar 12 2025
R-4.5-winWARNINGMar 12 2025
R-4.5-macWARNINGMar 12 2025
R-4.5-linuxWARNINGMar 12 2025
R-4.4-winWARNINGMar 12 2025
R-4.4-macWARNINGMar 12 2025
R-4.4-linuxWARNINGMar 12 2025
R-4.3-winWARNINGMar 12 2025
R-4.3-macWARNINGMar 12 2025

Exports:clustersclusters_tsdsspdssp_tsfill_binsfind_Nth_occurrenceget_sign_digitsgetFilesgetListOfKeysgetValuehbondhbond_tsintegrate_curveisKeySetload_clustersload_clusters_GROMACSload_clusters_tsload_dsspload_dssp_tsload_hbondload_hbond_tsload_noeload_ramachandranload_rmsdload_rmsfload_TIcurveload_timeseriesload_XPMload_xrmsdnoeparse_argumentsplot_segmentsprint_helpramachandranrmsdrmsd_averagermsfsetNumberDigitssplit_AMBER_atomnamessplit_equidistantsplit_GROMACS_atomnamestestAllowedtestRequiredTIcurvetimeseriestranslate_aminoacidsxrmsd

Dependencies:bitopscaToolsgplotsgtoolsKernSmoothMASSRColorBrewer

MDplot (The R Journal publication)

Rendered frompublication.pdf.asisusingR.rsp::asison Mar 12 2025.

Last update: 2017-07-24
Started: 2017-07-24