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Visualize and analyze GROMACS MD results.

Data & Analytics#analysis#visualization#GROMACS#RMSD#DCCM#MD
AuthorCharlesHahn
Version1.0.0
Installs0

System Documentation

What problem does it solve?

DuIvyTools provides a unified toolkit to analyze and visualize GROMACS MD outputs (XVG, XPM, NDX), enabling researchers to interpret simulation results quickly and reliably.

Core Features & Use Cases

  • Visualization and analysis of XVG data for RMSD, RMSF, energy, hydrogen bonds, gyrate
  • XPM matrix visualization (DCCM, FEL, DSSP) and NDX manipulation
  • Ramachandran plots and batch processing across multiple simulations
  • Batch processing for multiple simulation results with consistent styling

Quick Start

Install DuIvyTools with pip: pip install DuIvyTools Then run example commands such as:

  • dit xvg_show -f rmsd.xvg
  • dit xpm_show -f dccm.xpm

Dependency Matrix

Required Modules

None required

Components

references

💻 Claude Code Installation

Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.

Please help me install this Skill:
Name: duivytools-skills
Download link: https://github.com/CharlesHahn/DuIvySkills/archive/main.zip#duivytools-skills

Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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