XCrySDen on Docker

Docker images for running XCrySDen, a crystalline and molecular structure visualization program. This project provides multi-architecture Docker images (amd64 and arm64) that eliminate the need to install XCrySDen locally.

Visit our Docker Hub repository to pull pre-built images.

Available Tags

This project offers different Docker image variants to suit various use cases:

teg57/xcrysden:1.6.2-web

Web Interface Version - Run XCrySDen in your browser using noVNC

• No X server required
• Access through web browser at localhost:6080
• Perfect for Windows, macOS, and remote access
• 📖 Detailed Documentation

teg57/xcrysden:1.6.2-min

Minimal Version - Direct X11 forwarding

• Lightweight Docker image
• Requires X server setup on host machine
• Direct graphical interface
• 📖 Detailed Documentation

Quick Start

Web Version (Recommended for beginners)

docker run --init --rm -p 6080:6080 -v "$env:USERPROFILE\Documents\xcrysden:/mnt/data" teg57/xcrysden:1.6.2-web

Then open http://localhost:6080/vnc.html in your browser.

Minimal Version (Requires X server)

docker run --init --rm -e DISPLAY=host.docker.internal:0 -v "$env:USERPROFILE\Documents\xcrysden:/mnt/data" teg57/xcrysden:1.6.2-min

Getting Detailed Instructions

Each tag has its own comprehensive documentation with:

• Complete setup instructions
• Architecture-specific commands
• Build instructions for local development
• Troubleshooting guides

👉 Visit the tags/ folder and select your preferred version for detailed instructions.

Key Features

• Multi-architecture support: Both amd64 and arm64
• Multiple interface options: Web browser or direct X11
• Easy volume mounting: Access your local files seamlessly
• Pre-built images: No compilation required
• Comprehensive documentation: Detailed guides for each variant

Author

@AlanSilvaaa