rust-sasa-python 0.1.1__cp39-cp39-macosx_11_0_arm64.whl
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Metadata-Version: 2.3
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Name: rust-sasa-python
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Version: 0.1.1
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Classifier: Programming Language :: Rust
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Classifier: Programming Language :: Python :: Implementation :: CPython
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Classifier: Programming Language :: Python :: Implementation :: PyPy
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License-File: LICENSE.md
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Summary: An ultra-fast package for computing Solvent Accessible Surface Area (SASA/ASA) for proteins
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Author: Max Campbell
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Requires-Python: >=3.8
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Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
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# rust-sasa-python
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rust-sasa-python is a Python library for computing SASA (Solvent Accessible Surface Area) far faster than biopython and other packages.
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See [RustSasa](https://github.com/maxall41/RustSASA) for more info.
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## Features:
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- 🦀 Backend written in Pure Rust
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- ⚡️ 3X Faster than Biopython and ~120% faster than Freesasa
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- 🐍 Quick drop-in replacement for Biopython
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## Usage
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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)!
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Installation:
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```
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pip install rust-sasa-python
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```
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Example:
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```python
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from rust_sasa_python import calculate_sasa_at_residue_level
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residue_sasa_values = calculate_sasa_at_residue_level("path_to_pdb_file.pdb") # Also supports mmCIF files!
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```
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See full docs [here](https://github.com/maxall41/rust-sasa-python/blob/main/DOCS.md)
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## Benchmarking
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Benchmarks were performed on an M2 Apple Mac with 8GB of RAM and 8 Cores with the protein AF-A0A2K5XT84-F1 (AlphaFold).
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- Biopython: ~150ms
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- Freesasa: ~90ms
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- RustSASA: ~40ms
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rust_sasa_python-0.1.1.dist-info/METADATA,sha256=RA5W_aAPvraFK1B81jlR-Bo3COlklCsREBZvlD_VZpc,1553
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rust_sasa_python-0.1.1.dist-info/WHEEL,sha256=swS_EsL4Ctu3igRkGd-uvTy8UVaxZd8dDo12XVo8SNE,102
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rust_sasa_python-0.1.1.dist-info/licenses/LICENSE.md,sha256=NqQ8VpW-KAdyJFEM1bzTp7yc1o3613wdb-AaqaJo_mo,1072
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rust_sasa_python/__init__.py,sha256=GwXUM63Xm1llfQ1qZLKralpgqaG4xQ7gWZjqdtN9BXc,147
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rust_sasa_python/rust_sasa_python.cpython-39-darwin.so,sha256=hsbvrEpNQVSJNtOWUAafzjxuUwnIlOrTs1mpmfEJ5Ag,1159000
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rust_sasa_python-0.1.1.dist-info/RECORD,,
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MIT License
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Copyright (c) 2024 Maxwell Campbell
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Permission is hereby granted, free of charge, to any person obtaining a copy
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of this software and associated documentation files (the "Software"), to deal
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in the Software without restriction, including without limitation the rights
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to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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copies of the Software, and to permit persons to whom the Software is
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furnished to do so, subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all
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copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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SOFTWARE.
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