Docking Python
Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.
Free software: GNU General Public License v2 (GPLv2)
Documentation: https://docking-py.readthedocs.io.
Features
Prepare receptors and ligands.
- Launch docking using:
Autodock with or without GPU acceleration
Vina
Smina
Qvina2
Qvinaw
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.
History
0.1.0 (2020-04-15)
First release on PyPI.
1 maintainer
Release files for docking-py 0.3.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| docking_py-0.3.0.tar.gz | 150.9 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| docking_py-0.3.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 299.2 kB
Release files / docking_py-0.3.0.tar.gz
| Download URL | docking_py-0.3.0.tar.gz |
|---|---|
| Size | 150.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Release files / docking_py-0.3.0-py3-none-any.whl
| Download URL | docking_py-0.3.0-py3-none-any.whl |
|---|---|
| Size | 148.4 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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twine/3.3.0 pkginfo/1.6.1 requests/2.24.0 setuptools/49.6.0.post20201009 requests-toolbelt/0.9.1 tqdm/4.52.0 CPython/3.7.8
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