From a14beda30f67224d90223ded3664428bf8f757e4 Mon Sep 17 00:00:00 2001 From: Max Campbell <41460735+maxall41@users.noreply.github.com> Date: Sat, 27 Apr 2024 23:42:50 -0700 Subject: [PATCH] Update README.md --- README.md | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/README.md b/README.md index ecf6a0c..ecad606 100644 --- a/README.md +++ b/README.md @@ -8,6 +8,21 @@ RustSASA is a Rust library for computing the absolute solvent accessible surface - ๐Ÿฆ€ Written in Pure Rust - โšก๏ธ 3X Faster than Biopython and ~120% faster than Freesasa - ๐Ÿงช Full test coverage + +## Using in python ๐Ÿ + +You can now utilize RustSasa within python to speed up your scripts! Take a look at [rust-sasa-python](https://github.com/maxall41/rust-sasa-python)! + +Installation: +``` +pip install rust-sasa-python +``` +Example: +```python +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](https://github.com/maxall41/rust-sasa-python/blob/main/DOCS.md) ## RustSASA Implementation vs Biopython Implementation Benchmarks were performed on an M2 Apple Mac with 8GB of RAM and 8 Cores with the protein AF-A0A2K5XT84-F1 (AlphaFold).