ferritin_core/lib.rs
1//! # ferritin-core
2//!
3//! A library for working with biomolecular structure files and performing common operations.
4//!
5//! __ferritin-core__ provides functionality for:
6//! * Reading and writing common biomolecular file formats (PDB, mmCIF, etc.)
7//! * Selecting atoms and residues based on various criteria
8//! * Computing geometric properties like distances, angles, and dihedrals
9//! * Basic molecular operations like superposition and RMSD calculations
10//!
11//! The main entry point is the [`AtomCollection`] struct which represents a biomolecular structure
12//! and provides methods for manipulating and analyzing it.
13//!
14mod atomcollection;
15mod bonds;
16pub mod data;
17pub mod info;
18mod io;
19pub mod model;
20pub mod trajectory;
21pub mod unit;
22mod views;
23
24pub use atomcollection::AtomCollection;
25pub use bonds::{Bond, BondOrder};
26pub use io::{load_structure, load_structure_from_string, load_trajectory};
27pub use model::{AtomicConformation, AtomicHierarchy, Bonds, Model};
28pub use trajectory::{ArrayTrajectory, Coordinates, Frame, ModelCoordsTrajectory, Trajectory};
29pub use unit::Unit;
30pub use views::{AtomView, ChainView, ModelAtomView, ModelChainView, ModelResidueView, ResidueView};