Releases: PhelanShao/reaction_network
Releases · PhelanShao/reaction_network
V2.0
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:
.reacnetencrypted 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:
- Backup your existing .reacnet files
- Uninstall old version
- Install new English edition
- Verify SVG functionality
- Test with sample data