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OpenBuilder-v1.2.0-dev

OpenBuilder is a graphical and command-line tool for building Martini coarse-grained membrane and membrane–protein systems.

It supports:

  • Membrane-only systems
  • Membrane systems with coarse-grained proteins
  • Martini v3 force fields
  • Reproducible JSON-based builds
  • GUI and CLI workflows
  • Automatic zipped output folders

🚀 Main Workflow

GUI input → Config object → System build → config.json → ZIP archive

📁 Output Structure

Each build creates a self-contained project folder:

outputs/OpenBuilder-YYYY-MM-DD_HH-MM-SS/
├── config.json
├── user_inputs/
├── simulations/
├── toppar/
└── mdp/

📦 Zipped Output

A compressed archive is also created automatically:

downloads/OpenBuilder-YYYY-MM-DD_HH-MM-SS.zip

This archive contains everything needed to reproduce the system, including:

  • Input files (user_inputs/)
  • Configuration (config.json)
  • Simulation setup files