Metadata-Version: 2.1
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
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.*
Requires-Dist: click (==7.0)
Requires-Dist: pyyaml (==5.1.2)
Requires-Dist: tqdm (==4.36.1)
Requires-Dist: biopython (==1.74)

======
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.


