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Releases: PhelanShao/reaction_network

V2.0

20 Jun 01:33
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ReacNet Analyzer Pro Version 2.0 - Release Notes

🚀 Version 2.0 - Release Date: 20250620

🎯 What's New

Enhanced Security & Authentication

  • Password-protected access with citation reminder
  • Encrypted file processing capabilities
  • Secure handling of sensitive reaction data

Advanced SVG Support

  • Fixed SVG rendering issues in packaged executables
  • High-quality vector graphics output suitable for publications
  • Scalable molecular structure visualizations
  • Improved font and backend support

Robust Error Handling

  • Enhanced error messages and debugging information
  • Graceful fallback mechanisms for missing dependencies
  • Better compatibility with different system configurations

🔧 Technical Improvements

Core Features:

  • 3D Molecular Visualization: High-quality 3D rendering using matplotlib
  • 2D Chemical Structure Display: RDKit-powered 2D molecular representations
  • Interactive Network Graphs: Dynamic reaction network visualization
  • Energy Profile Analysis: MEP (Minimum Energy Path) integration
  • Multiple Output Formats: PNG and SVG export capabilities
  • Drag & Drop Interface: Intuitive file handling

Performance Enhancements:

  • Optimized memory usage for large reaction networks
  • Improved processing speed for complex molecular systems
  • Better handling of large .reacnet files
  • Enhanced multi-threading support

🔐 Authentication

Access Requirements:

  • Password: github.com/PhelanShao/reaction_network
  • Citation reminder upon startup
  • Secure access to prevent unauthorized usage

📊 Supported Formats

Input:

  • .reacnet encrypted reaction network files
  • XYZ molecular coordinate files
  • ORCA MEP trajectory files

Output:

  • Interactive HTML visualizations
  • PNG/SVG molecular images
  • Network topology data
  • Energy profile charts

🔬 Research Applications

Perfect for:

  • Computational chemistry research
  • Reaction mechanism studies
  • Chemical education and training
  • Scientific publication preparation
  • Conference presentations

🛠️ System Requirements

Minimum:

  • Windows 10 or later
  • 4GB RAM
  • 1GB disk space
  • OpenGL 2.0 support

Recommended:

  • Windows 11
  • 8GB+ RAM
  • SSD storage
  • Dedicated graphics card

📚 Citation Requirements

When using this software, please cite the references as required in the project README. This ensures proper attribution to the original developers and maintains academic integrity.

🐛 Bug Fixes

  • ✅ Fixed SVG rendering in packaged executables
  • ✅ Resolved password dialog scope issues
  • ✅ Improved error handling for missing dependencies
  • ✅ Enhanced file path handling on Windows
  • ✅ Fixed matplotlib backend compatibility
  • ✅ Corrected font embedding in SVG outputs

🔄 Upgrade Path

From Previous Versions:

  1. Backup your existing .reacnet files
  2. Uninstall old version
  3. Install new English edition
  4. Verify SVG functionality
  5. Test with sample data