Welcome to packing_defect’s documentation!

Analyze membrane packing defects from molecular dynamics trajectories using a fast, grid‑based stamping approach with connected‑component clustering. The toolkit classifies atoms into defect types, writes per‑frame outputs, and summarizes defect size distributions for quick insight.

Contents:

• Getting Started
• User Guide
  • Prerequisites
  • Typical Workflow: Packing Analysis
  • Radius Workflow: Pre-split GRO Frames
  • Interpreting Results
  • Extensibility
• API Documentation
  • packing_defect
  • packing_defect.core
  • packing_defect.core.analyzers

Indices and tables

• Index

• Module Index

• Search Page