Metadata-Version: 1.0
Name: PlopRotTemp
Version: 1.0.1
Summary: Extract forcefield parameters of a small molecule using OPLS2005
Home-page: https://github.com/NostrumBioDiscovery/PlopRotTemp
Author: Daniel Soler
Author-email: daniel.soler@nostrumbiodiscovery.com
License: UNKNOWN
Description-Content-Type: UNKNOWN
Description: PlopRotTemp
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        Get started:
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        To run PlopRotTemp you must use the next command on linux shell:
        
        1. pip install ploprottemp or conda install -c nostrumbiodiscovery ploprottemp
        
        2. $ /path/to/academic/schrodinger -m PlopRotTemp.main /path/to/mae/ligand
        
        Test
        -------------
        
        - cd Examples
        - e.g /opt/schrodinger2017-4/utilities/python /path/to/PlopRotTemp/main.py AS4_INIT.mae
        
        
Platform: UNKNOWN
