rust-sasa-python 0.2.0__cp312-cp312-win32.whl

rust_sasa_python/__init__.py

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+from .rust_sasa_python import *
+
+__doc__ = rust_sasa_python.__doc__
+if hasattr(rust_sasa_python, "__all__"):
+    __all__ = rust_sasa_python.__all__

rust_sasa_python-0.2.0.dist-info/METADATA

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+Metadata-Version: 2.4
+Name: rust-sasa-python
+Version: 0.2.0
+Classifier: Programming Language :: Rust
+Classifier: Programming Language :: Python :: Implementation :: CPython
+Classifier: Programming Language :: Python :: Implementation :: PyPy
+Requires-Dist: pytest>=8.4.1 ; extra == 'dev'
+Requires-Dist: maturin>=1.5,<2.0 ; extra == 'dev'
+Provides-Extra: dev
+License-File: LICENSE.md
+Summary: An ultra-fast package for computing Solvent Accessible Surface Area (SASA/ASA) for proteins
+**46X** faster than Biopython, **7X** faster than Freesasa
+Author: Max Campbell
+Requires-Python: >=3.11
+Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
+
+# rust-sasa-python
+
+A high-performance **Python library** for computing SASA (Solvent Accessible Surface Area) using Rust as the backend. This library provides a clean, Pythonic interface to the fast RustSASA calculation engine.
+
+## Features
+
+- 🦀 **Pure Rust Backend**: Leverages Rust's performance and safety.
+- ⚡️ **Ludicrous Speed**: **46X** faster than Biopython, **7X** faster than Freesasa.
+- 🐍 **Pythonic Interface**: Clean, intuitive API.
+- 🔧 **Configurable**: Customizable probe radius and sampling points.
+- 📁 **PDB and mmCIF SUPPORT**: Supports both PDB and mmCIF files.
+
+## Installation
+
+```bash
+pip install rust-sasa-python
+```
+
+## Quick Start
+
+```python
+import rust_sasa_python as sasa
+
+# Simple calculation - use convenience function
+result = sasa.calculate_protein_sasa("protein.pdb")
+print(f"Total SASA: {result.total:.2f}")
+
+# Builder pattern for more control
+calculator = (sasa.SASACalculator("protein.pdb")
+              .with_probe_radius(1.2)
+              .with_n_points(2000))
+result = calculator.calculate_protein()
+print(f"Total SASA: {result.total:.2f}")
+print(f"Polar SASA: {result.polar:.2f}")
+print(f"Non-polar SASA: {result.non_polar:.2f}")
+```
+
+See [DOCS](DOCS.md) for more information and API reference.
+
+## Contributing
+
+Contributions are welcome! Please feel free to submit issues and pull requests.
+
+## License
+
+This project is licensed under the MIT License.
+
+## Related Projects
+
+- [RustSASA](https://github.com/maxall41/RustSASA) - The core Rust library.
+- [DPXRust](https://github.com/maxall41/DPXRust) - Rust library for DPX calculations.
+

rust_sasa_python-0.2.0.dist-info/RECORD

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+rust_sasa_python-0.2.0.dist-info/WHEEL,sha256=noTIZIQHxjVqjQnU9ZL9Dt9AOLknyLooHqw2dBv2YBY,92
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+rust_sasa_python/__init__.py,sha256=GwXUM63Xm1llfQ1qZLKralpgqaG4xQ7gWZjqdtN9BXc,147
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+rust_sasa_python-0.2.0.dist-info/RECORD,,

rust_sasa_python-0.2.0.dist-info/WHEEL

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+Wheel-Version: 1.0
+Generator: maturin (1.9.1)
+Root-Is-Purelib: false
+Tag: cp312-cp312-win32

rust_sasa_python-0.2.0.dist-info/licenses/LICENSE.md

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+MIT License
+
+Copyright (c) 2024 Maxwell Campbell
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.