Usage: The basics

This section explains the core Lahuta concepts in processing one structure input file. You load a file into a LahutaSystem, inspect raw/parsed structural data through props (NumPy-based atom/residue arrays), and optionally compute higher-level results based on your requirements.

The pages are organized around this progression:

• System covers loading and inspecting parsed coordinates and labels;
• Topology covers computed chemical/structural interpretation;
• Entities explains atom groupings and biological identity;
• Contacts covers interaction computation;
• Distances covers geometric measurements;
• Spatial covers neighbor and radius-search patterns for local structural queries;
• Parallel processing shows how this workflow scales across multiple files and cores.