rust-sasa-python 0.1.1__cp39-cp39-macosx_11_0_arm64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -0,0 +1,5 @@
1
+ from .rust_sasa_python import *
2
+
3
+ __doc__ = rust_sasa_python.__doc__
4
+ if hasattr(rust_sasa_python, "__all__"):
5
+ __all__ = rust_sasa_python.__all__
@@ -0,0 +1,46 @@
1
+ Metadata-Version: 2.3
2
+ Name: rust-sasa-python
3
+ Version: 0.1.1
4
+ Classifier: Programming Language :: Rust
5
+ Classifier: Programming Language :: Python :: Implementation :: CPython
6
+ Classifier: Programming Language :: Python :: Implementation :: PyPy
7
+ License-File: LICENSE.md
8
+ Summary: An ultra-fast package for computing Solvent Accessible Surface Area (SASA/ASA) for proteins
9
+ Author: Max Campbell
10
+ Requires-Python: >=3.8
11
+ Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
12
+
13
+ # rust-sasa-python
14
+
15
+ rust-sasa-python is a Python library for computing SASA (Solvent Accessible Surface Area) far faster than biopython and other packages.
16
+ See [RustSasa](https://github.com/maxall41/RustSASA) for more info.
17
+
18
+ ## Features:
19
+ - 🦀 Backend written in Pure Rust
20
+ - ⚡️ 3X Faster than Biopython and ~120% faster than Freesasa
21
+ - 🐍 Quick drop-in replacement for Biopython
22
+
23
+ ## Usage
24
+
25
+ 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)!
26
+
27
+ Installation:
28
+ ```
29
+ pip install rust-sasa-python
30
+ ```
31
+ Example:
32
+ ```python
33
+ from rust_sasa_python import calculate_sasa_at_residue_level
34
+ residue_sasa_values = calculate_sasa_at_residue_level("path_to_pdb_file.pdb") # Also supports mmCIF files!
35
+ ```
36
+ See full docs [here](https://github.com/maxall41/rust-sasa-python/blob/main/DOCS.md)
37
+
38
+ ## Benchmarking
39
+ Benchmarks were performed on an M2 Apple Mac with 8GB of RAM and 8 Cores with the protein AF-A0A2K5XT84-F1 (AlphaFold).
40
+
41
+ - Biopython: ~150ms
42
+
43
+ - Freesasa: ~90ms
44
+
45
+ - RustSASA: ~40ms
46
+
@@ -0,0 +1,6 @@
1
+ rust_sasa_python-0.1.1.dist-info/METADATA,sha256=RA5W_aAPvraFK1B81jlR-Bo3COlklCsREBZvlD_VZpc,1553
2
+ rust_sasa_python-0.1.1.dist-info/WHEEL,sha256=swS_EsL4Ctu3igRkGd-uvTy8UVaxZd8dDo12XVo8SNE,102
3
+ rust_sasa_python-0.1.1.dist-info/licenses/LICENSE.md,sha256=NqQ8VpW-KAdyJFEM1bzTp7yc1o3613wdb-AaqaJo_mo,1072
4
+ rust_sasa_python/__init__.py,sha256=GwXUM63Xm1llfQ1qZLKralpgqaG4xQ7gWZjqdtN9BXc,147
5
+ rust_sasa_python/rust_sasa_python.cpython-39-darwin.so,sha256=hsbvrEpNQVSJNtOWUAafzjxuUwnIlOrTs1mpmfEJ5Ag,1159000
6
+ rust_sasa_python-0.1.1.dist-info/RECORD,,
@@ -0,0 +1,4 @@
1
+ Wheel-Version: 1.0
2
+ Generator: maturin (1.7.1)
3
+ Root-Is-Purelib: false
4
+ Tag: cp39-cp39-macosx_11_0_arm64
@@ -0,0 +1,21 @@
1
+ MIT License
2
+
3
+ Copyright (c) 2024 Maxwell Campbell
4
+
5
+ Permission is hereby granted, free of charge, to any person obtaining a copy
6
+ of this software and associated documentation files (the "Software"), to deal
7
+ in the Software without restriction, including without limitation the rights
8
+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
9
+ copies of the Software, and to permit persons to whom the Software is
10
+ furnished to do so, subject to the following conditions:
11
+
12
+ The above copyright notice and this permission notice shall be included in all
13
+ copies or substantial portions of the Software.
14
+
15
+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
16
+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
17
+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
18
+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
19
+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
20
+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
21
+ SOFTWARE.