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§ferritin-core

A library for working with biomolecular structure files and performing common operations.

ferritin-core provides functionality for:

  • Reading and writing common biomolecular file formats (PDB, mmCIF, etc.)
  • Selecting atoms and residues based on various criteria
  • Computing geometric properties like distances, angles, and dihedrals
  • Basic molecular operations like superposition and RMSD calculations

The main entry point is the AtomCollection struct which represents a biomolecular structure and provides methods for manipulating and analyzing it.

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