Metadata-Version: 2.1
Name: dockingFormatter
Version: 1.1.1
Summary: A docking logs formatter
Home-page: https://github.com/LSWarss/dockingFormatter
Author: Łukasz Stachnik
Author-email: ls.warss98@gmail.com
License: MIT License
Description: # dockingFormatter
        
        Simple formatter for docking of the compound logs. That takes docking log and returns interesting findings in format of xlsx file.
        
        ## Installation
        
        You can install the **dockingFormatter** from [PyPI](https://pypi.org/project/dockingFormatter/):
        
        ```
        pip install dockingFormatter
        ```
        
        or
        
        ```
        pip3 install dockingFormatter
        ```
        
        The formatter is supported on Python3 and should be working fine on Python2.
        
        ## What it does
        
        The dockingFormatter is a simple command line application, it takes docking log and then finds lowest affinity for the given compound. Afterwards returns the inforamtion in form of xmls file looking like that:
        
        ![Formatter output sample](images/xmls-formatter.png)
        
        ## How to use
        
        ```
        
        $ dockingFormatter [DOCKING LOG FILE NAME] 
        
        ```
        
        or with custom output file name
        
        ```
        
        $ dockingFormatter [DOCKING LOG FILE NAME] --outputfile [CUSTOM NAME with or without xmls extension on the end]
        
        ```
        
        to see all options and description you can use 
        
        ```
        
        $ dockingFormatter --help
        
        ```
        
        ## Developing dockingFormatter
        
        To install dockingFormatter, along with the tools you need to develop and run tests, run the following in your virtualenv:
        
        ```bash
        $ pip install -e .[dev]
        ```
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
Provides-Extra: dev
