An ultra-fast package for computing Solvent Accessible Surface Area (SASA/ASA) for proteins

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  • Author: Max Campbell
  • Requires: Python >=3.8
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Project description

rust-sasa-python

rust-sasa-python is a Python library for computing SASA (Solvent Accessible Surface Area) far faster than biopython and other packages. See RustSasa for more info.

Features:

  • 🦀 Backend written in Pure Rust
  • ⚡️ 3X Faster than Biopython and ~120% faster than Freesasa
  • 🐍 Quick drop-in replacement for Biopython

Usage

You can now utilize RustSasa within Python to speed up your scripts! Take a look at rust-sasa-python!

Installation:

pip install rust-sasa-python

Example:

from rust_sasa_python import calculate_sasa_at_residue_level
residue_sasa_values = calculate_sasa_at_residue_level("path_to_pdb_file.pdb") # Also supports mmCIF files!

See full docs here

Benchmarking

Benchmarks were performed on an M2 Apple Mac with 8GB of RAM and 8 Cores with the protein AF-A0A2K5XT84-F1 (AlphaFold).

  • Biopython: ~150ms

  • Freesasa: ~90ms

  • RustSASA: ~40ms

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This version

0.1.1

0.1.0

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