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zsasa

High-performance SASA calculation in Zig

Benchmark Results

8.77× faster than FreeSASA batch on E. coli AFDB and 9.70× faster on Human AFDB with bitmask f32 mode, while keeping peak RSS under 80 MiB. The pinned v0.6.0 suite also covers FreeSASA agreement, large structures, and MD trajectories.

See batch benchmarks →

Zero Dependencies

Pure Zig with no external libraries. Single zig build command. Python wheels available on PyPI for Linux, macOS, and Windows.

Install in 30 seconds →

Two Algorithms

Shrake-Rupley (fast, recommended) and Lee-Richards (precise). Selectable f64/f32 precision.

Multiple Formats

mmCIF, PDB, and JSON input. XTC and DCD trajectory support with automatic unit conversion.

Python Bindings

NumPy integration with Gemmi, BioPython, Biotite, MDTraj, and MDAnalysis support.

Analysis Tools

Per-residue aggregation, RSA calculation, and polar/nonpolar classification with three built-in classifiers.

Batch & Trajectory

Native directory batch processing and MD trajectory analysis. Proteome-scale datasets in seconds.

Cross-Platform

Linux, macOS, and Windows. CLI binary, Python package on PyPI, and native Zig library with interactive autodoc.