Metadata-Version: 1.2
Name: promoe
Version: 0.1.0
Summary: Protonize a selection of atoms of protein binding sites.
Home-page: https://github.com/zethson/promoe
Author: Lukas Heumos
Author-email: lukas.heumos@posteo.net
License: GNU General Public License v3
Description: ======
        promoe
        ======
        
        
        .. image:: https://img.shields.io/pypi/v/promoe.svg
                :target: https://pypi.python.org/pypi/promoe
        
        .. image:: https://img.shields.io/travis/zethson/promoe.svg
                :target: https://travis-ci.org/zethson/promoe
        
        .. image:: https://readthedocs.org/projects/promoe/badge/?version=latest
                :target: https://promoe.readthedocs.io/en/latest/?badge=latest
                :alt: Documentation Status
        
        .. image:: https://pyup.io/repos/github/zethson/promoe/shield.svg
             :target: https://pyup.io/repos/github/zethson/promoe/
             :alt: Updates
        
        
        Protonize selected atoms with the use of MOE and Pymol.
        
        
        * Free software: GNU General Public License v3
        * Documentation: https://promoe.readthedocs.io.
        
        Overview
        --------
        
        .. image:: images/overview.png
            :alt: overview of promoe
        
        Features
        --------
        
        * Protonize the binding site of a pdb id automatically
        * Remove water atoms that are unable to interact with the ligand after protonization
        * Extract charges for residues
        * Extract all ligand IDs
        * Extract all alternative locations
        
        
        =======
        History
        =======
        
        0.1.0 (2019-09-30)
        ------------------
        
        * First release on PyPI.
        
Keywords: promoe
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Requires-Python: !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*
