Metadata-Version: 1.2
Name: docking_py
Version: 0.3.0
Summary: 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.
Home-page: https://github.com/samuelmurail/docking_py
Author: Samuel Murail
Author-email: samuel.murail@u-paris.fr
License: GNU General Public License v2 (GPLv2)
Description: ==============
        Docking Python
        ==============
        
        
        .. image:: https://travis-ci.org/samuelmurail/docking_py.svg?branch=master
            :target: https://travis-ci.org/samuelmurail/docking_py
        
        .. image:: https://readthedocs.org/projects/docking-py/badge/?version=latest
            :target: https://docking-py.readthedocs.io/en/latest/?badge=latest
            :alt: Documentation Status
        
        .. image:: https://codecov.io/gh/samuelmurail/docking_py/branch/master/graph/badge.svg
            :target: https://codecov.io/gh/samuelmurail/docking_py
        
        .. image:: https://badge.fury.io/py/docking-py.svg
            :target: https://badge.fury.io/py/docking-py
        
        .. image:: https://anaconda.org/bioconda/docking_py/badges/version.svg
            :target: https://anaconda.org/bioconda/docking_py
        
        .. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.4506970.svg
           :target: https://doi.org/10.5281/zenodo.4506970
        
        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.
        
        .. _Cookiecutter: https://github.com/audreyr/cookiecutter
        .. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage
        
        
        =======
        History
        =======
        
        0.1.0 (2020-04-15)
        ------------------
        
        * First release on PyPI.
        
Keywords: docking_py
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: GNU General Public License v2 (GPLv2)
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.5
