GROMACS .xvg Plotting Script

This is Python script to automate the plotting of .xvg files generated by GROMACS, with proper labeling, dynamic time unit detection, and colorful plots. This script reads data from .xvg files, assigns meaningful labels based on file contents, and saves the plots as .png images.

Features

• Automatic Axis Labeling: Labels for y-axis based on common GROMACS output keywords (e.g., Potential, RMSD, Density).
• Time Unit Detection: Detects and uses the appropriate time unit (e.g., ps, ns, fs) from each .xvg file header.
• Colorful Plots: Randomized colors for each plot line to distinguish different files.
• Batch Processing: Processes all .xvg files in the folder, creating individual plot images for each file.

Requirements

• Python 3
• numpy
• matplotlib

Install the dependencies using:

pip install numpy matplotlib