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.

AuthorChristian Margreitter [aut, cre]
Date of publication2016-04-28 15:55:21
MaintainerChristian Margreitter <christian.margreitter@gmail.com>
LicenseGPL-3
Version0.3.1
https://github.com/MDplot/MDplot

View on CRAN

Files in this package

MDplot
MDplot/inst
MDplot/inst/CITATION
MDplot/inst/bash
MDplot/inst/bash/test.sh
MDplot/inst/bash/MDplot_install.R
MDplot/inst/bash/MDplot_bash.R
MDplot/inst/bash/install.sh
MDplot/inst/extdata
MDplot/inst/extdata/3-Helix.out
MDplot/inst/extdata/TIcurve_fb_forward_example.txt.gz
MDplot/inst/extdata/clusters_ts_example.txt.gz
MDplot/inst/extdata/rmsf1_example.txt.gz
MDplot/inst/extdata/4-Helix.out
MDplot/inst/extdata/timeseries_example.txt.gz
MDplot/inst/extdata/Bend.out
MDplot/inst/extdata/hbond_ts_example.txt.gz
MDplot/inst/extdata/clusters_example.txt.gz
MDplot/inst/extdata/TIcurve_example.txt.gz
MDplot/inst/extdata/Beta-Strand.out
MDplot/inst/extdata/TIcurve_fb_backward_example.txt.gz
MDplot/inst/extdata/Beta-Bridge.out
MDplot/inst/extdata/rmsd1_example.txt.gz
MDplot/inst/extdata/ramachandran_example.txt.gz
MDplot/inst/extdata/Turn.out
MDplot/inst/extdata/5-Helix.out
MDplot/inst/extdata/dssp_summary_example.txt.gz
MDplot/inst/extdata/rmsd2_example.txt.gz
MDplot/inst/extdata/rmsf2_example.txt.gz
MDplot/inst/extdata/xrmsd_example.txt.gz
MDplot/inst/extdata/hbond_example.txt.gz
MDplot/inst/extdata/rmsd_example_GROMACS.txt.gz
MDplot/NAMESPACE
MDplot/NEWS
MDplot/R
MDplot/R/rmsd.R MDplot/R/clusters.R MDplot/R/xrmsd.R MDplot/R/helperclasses.R MDplot/R/hbond.R MDplot/R/helperfunctions.R MDplot/R/rmsf.R MDplot/R/dssp.R MDplot/R/ramachandran.R MDplot/R/timeseries.R MDplot/R/TIcurve.R
MDplot/MD5
MDplot/DESCRIPTION
MDplot/man
MDplot/man/hbond_ts.Rd MDplot/man/load_rmsd.Rd MDplot/man/load_clusters.Rd MDplot/man/load_dssp_ts.Rd MDplot/man/translate_aminoacids.Rd MDplot/man/xrmsd.Rd MDplot/man/dssp_summary.Rd MDplot/man/load_TIcurve.Rd MDplot/man/load_rmsf.Rd MDplot/man/load_timeseries.Rd MDplot/man/load_clusters_ts.Rd MDplot/man/MDplot-internal.Rd MDplot/man/dssp_ts.Rd MDplot/man/clusters.Rd MDplot/man/load_hbond.Rd MDplot/man/timeseries.Rd MDplot/man/load_hbond_ts.Rd MDplot/man/hbond.Rd MDplot/man/clusters_ts.Rd MDplot/man/MDplot_argument-class.Rd MDplot/man/ramachandran.Rd MDplot/man/load_xrmsd.Rd MDplot/man/TIcurve.Rd MDplot/man/rmsf.Rd MDplot/man/load_ramchandran.Rd MDplot/man/load_dssp_summary.Rd MDplot/man/rmsd.Rd

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

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