GMXvg is a command-line utility designed for converting and plotting GROMACS XVG files. It simplifies the process of handling XVG files by automatically discovering all XVG files in the current or subdirectories and converting them to specified file formats, with JPG as the default format. Additionally, GMXvg logs the summary of plots in a CSV file, providing quick access to plot values along with their standard deviation.
Features
- Automatically discovers and converts GROMACS XVG files.
- Supports conversion to multiple file formats (e.g., JPG, PNG, PDF).
- Logs plot summaries in a CSV file for easy access to plot values and standard deviations.
- Provides options to customize plot titles, legends, and other outputs.
- Merge multiple plots
Quick Installation and Usage
Install using pypi or other directly from source using python's pip module:
- Install using: pip install gmxvg
- Check Version: gmxvg --version
- Help options: gmxvg -h
Tutorial and Demo
Supported Platforms
GMXvg is developed and tested for Ubuntu (20, 22, 24) and Windows (10, 11) environments. However, it is expected to work on all Windows, Linux, and macOS platforms.
For more details, latest updates, and source code visit our GitHub Repository .