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_1.1.3.tgz(r-4.4-any)MDplot_1.1.3.tgz(r-4.3-any)
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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'))

Peer review:

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

On CRAN:

6.45 score 26 stars 36 scripts 201 downloads 6 mentions 47 exports 7 dependencies

Last updated 3 years agofrom:3f4324a7e2. Checks:OK: 1 WARNING: 6. Indexed: yes.

TargetResultDate
Doc / VignettesOKNov 12 2024
R-4.5-winWARNINGNov 12 2024
R-4.5-linuxWARNINGNov 12 2024
R-4.4-winWARNINGNov 12 2024
R-4.4-macWARNINGNov 12 2024
R-4.3-winWARNINGNov 12 2024
R-4.3-macWARNINGNov 12 2024

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 Nov 12 2024.

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