Crate knuckles_parse

knuckles-parse

A fast and efficient PDB (Protein Data Bank) file parser written in Rust.

This library provides functionality to parse PDB files into structured Rust data types, with support for parallel processing, Python bindings, and serialization.

Features

• Fast parsing: Optimized for performance with optional parallel processing
• Comprehensive record support: Handles all major PDB record types
• Python bindings: Optional Python integration via PyO3
• Serialization: Optional JSON serialization support via Serde
• Parallel processing: Optional multi-threaded parsing with Rayon

Example

use knuckles_parse::{pdbreader_single, Record};

let pdb_content = "ATOM      1  N   ALA A   1      20.154  16.967  27.462  1.00 11.18           N";
let records = pdbreader_single(pdb_content);

match &records[0] {
    Record::Atom(atom) => {
        println!("Atom name: {}", atom.name);
        println!("Coordinates: ({}, {}, {})", atom.x, atom.y, atom.z);
    }
    _ => {}
}

Modules

records

PDB record type definitions and parsers.

Functions

pdbreader_parallel

Parse PDB file contents using parallel processing.

pdbreader_single

Parse PDB file contents using single-threaded processing.