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title: "PDBRust: A High-Performance Rust Library for PDB/mmCIF Parsing and Analysis"
message: "If you use this software, please cite it as below."
type: software
authors:
- given-names: Hosein
family-names: Fooladi
email: fooladi.hosein@gmail.com
orcid: "https://orcid.org/0000-0002-3124-2761"
affiliation: "Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria"
repository-code: "https://github.com/HFooladi/pdbrust"
url: "https://docs.rs/pdbrust"
abstract: >-
PDBRust is a fast Rust library for parsing and analyzing
Protein Data Bank (PDB) and mmCIF protein structure files.
It provides comprehensive support for molecular structure
data with robust error handling, structural analysis,
quality assessment, and RCSB PDB integration. Also
available as a Python package with 40-260x speedups over
pure Python implementations.
keywords:
- bioinformatics
- protein
- pdb
- mmcif
- structural-biology
- rust
- python
- molecular-structure
- protein-structure
license: MIT
version: 0.7.0
doi: "10.5281/zenodo.18232203"
date-released: "2026-02-13"