Metadata-Version: 2.1
Name: scripyt-MWFN
Version: 1.0.0
Summary: A package for Cheminformatics.
Home-page: https://github.com/jeffrichardchemistry/scripyt-MWFN
Author: Jefferson Richard
Author-email: jrichardquimica@gmail.com
License: GNU GPL
Description: # scripyt-MWFN
        Script to scrap CP properties of multiwfn output
        
        # Install via setuptools
        
        ```
        $ git clone https://github.com/jeffrichardchemistry/scripyt-MWFN
        $ cd scripyt-MWFN
        $ python3 setup.py install
        ```
        
        # Install via pip
        
        ```
        $ pip install scripyt-MWFN
        ```
        
        # Run script
        <b>Parameters:</b>
        <ul>
          <li><b>-p:</b> Path to Multiwfn output file</li>
          <li><b>-cp:</b> CPs desired to extract the information</li>
        </ul>
        
        ```
        $ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6
        ```
        
        Saving terminal output into a file:
        
        ```
        $ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6 > log.txt
        ```
        
Keywords: Cheminformatics,Chemistry,Multiwfn,quantum-chemistry
Platform: UNKNOWN
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Description-Content-Type: text/markdown
