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: | 0.0.2 |
| Depends: | R (≥ 4.1.0) |
| Imports: | ggplot2, tidyr, ggnewscale, plotly |
| Suggests: | knitr, rmarkdown, ggpubr, stringr |
| Published: | 2025-04-30 |
| 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, NEWS |
| CRAN checks: | xvm results |
| Reference manual: | xvm.html , xvm.pdf |
| Vignettes: |
xpm_file (source, R code) xvg_files (source, R code) |
| Package source: | xvm_0.0.2.tar.gz |
| Windows binaries: | r-devel: xvm_0.0.2.zip, r-release: xvm_0.0.2.zip, r-oldrel: xvm_0.0.2.zip |
| macOS binaries: | r-release (arm64): xvm_0.0.2.tgz, r-oldrel (arm64): xvm_0.0.2.tgz, r-release (x86_64): xvm_0.0.2.tgz, r-oldrel (x86_64): xvm_0.0.2.tgz |
| Old sources: | xvm archive |
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