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Provides tools for reading, parsing and visualizing simulation data stored in 'xvg'/'xpm' file formats (commonly generated by 'GROMACS' molecular dynamics software). Streamlines post-processing and analysis of molecular dynamics ('MD') simulation outputs, enabling efficient exploration of molecular stability and conformational changes. Supports import of trajectory metrics ('RMSD', energy, temperature) and creation of publication-ready visualizations through integration with 'ggplot2'.
| Version: | 0.0.1 |
| Imports: | ggplot2, tidyr, ggnewscale, plotly |
| Suggests: | knitr, rmarkdown, ggpubr, stringr |
| Published: | 2025-04-23 |
| DOI: | 10.32614/CRAN.package.xvm |
| Author: | BeiHao Li [aut, cre] |
| Maintainer: | BeiHao Li <szright2000 at gmail.com> |
| BugReports: | https://github.com/RightSZ/xvm/issues |
| License: | GPL (≥ 3) |
| URL: | https://github.com/RightSZ/xvm, https://rightsz.github.io/xvm/ |
| NeedsCompilation: | no |
| Materials: | README |
| CRAN checks: | xvm results |
| Reference manual: | xvm.pdf |
| Vignettes: |
xpm_file (source, R code) xvg_files (source, R code) |
| Package source: | xvm_0.0.1.tar.gz |
| Windows binaries: | r-devel: not available, r-release: not available, r-oldrel: not available |
| macOS binaries: | r-release (arm64): xvm_0.0.1.tgz, r-oldrel (arm64): xvm_0.0.1.tgz, r-release (x86_64): xvm_0.0.1.tgz, r-oldrel (x86_64): xvm_0.0.1.tgz |
Please use the canonical form https://CRAN.R-project.org/package=xvm to link to this page.
These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.