Crate ferritin_core

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.

Modules

info

Structs

AtomCollection

Atom Collection

AtomView

Bond

Bond

ChainView

View representing a molecular chain.

ResidueView

View representing a residue (amino acid, nucleotide, etc.) in the molecule.

Enums

BondOrder

BondOrder:

Functions

load_structure

load_structure_from_string