zsasa

High-performance Solvent Accessible Surface Area (SASA) calculator in Zig. Up to 3x faster than FreeSASA C with f64 precision.

Quick Start

Python

pip install zsasa
# or
uv add zsasa

import numpy as np
from zsasa import calculate_sasa

coords = np.array([[0.0, 0.0, 0.0], [3.0, 0.0, 0.0]])
radii = np.array([1.5, 1.5])
result = calculate_sasa(coords, radii)
print(f"Total SASA: {result.total_area:.2f} Ų")

CLI

# One-line install
curl -fsSL https://raw.githubusercontent.com/N283T/zsasa/main/install.sh | sh

# Or with Nix
nix run github:N283T/zsasa -- calc structure.cif output.json

zsasa calc structure.cif output.json

Documentation

Section	Description
Getting Started	Installation and first calculation
Comparison	How zsasa compares to FreeSASA, RustSASA, and Lahuta
Algorithms	SR vs LR algorithm comparison
Classifiers	Atom radius assignment
Trajectory Analysis	MD trajectory SASA
CLI Reference	Full CLI options
Python API	Python bindings documentation
Benchmarks	Performance and accuracy benchmarks