Metadata-Version: 2.1
Name: bio-pyvol
Version: 1.2.36
Summary: a PyMOL plugin and python package for visualization, comparison, and volume calculation of protein drug-binding sites
Home-page: https://github.com/schlessingerlab/pyvol
Author: Ryan H.B. Smith
Author-email: ryan.smith@icahn.mssm.edu
License: MIT
Description: ---
        title: 'PyVOL: Protein Pocket Visualization, Segmentation, and Characterization'
        ---
        
        ![image](https://img.shields.io/pypi/v/bio_pyvol.svg)
        
        ![image](https://img.shields.io/pypi/l/bio_pyvol.svg)
        
        Overview
        ========
        
        PyVOL is a python library packaged into a [PyMOL](https://pymol.org/2/)
        GUI for identifying protein binding pockets, partitioning them into
        sub-pockets, and calculating their volumes. PyVOL can be run as a PyMOL
        plugin through its GUI or the PyMOL prompt, as an imported python
        library, or as a command-line program. Visualization of results is
        exclusively supported through PyMOL though exported surfaces are
        compatible with standard 3D geometry visualization programs.
        
        Quick Installation into PyMOL
        =============================
        
        PyVOL can be installed into any python environment, but installing
        directly into PyMOL 2.0+ is easiest. Download the [installer zip
        file](https://github.com/schlessingerlab/pyvol/blob/master/installers/pyvol-installer.zip)
        and then use the plugin manager to install that file.
        
        ``` {.sourceCode .bash}
        https://github.com/schlessingerlab/pyvol/blob/master/installers/pyvol-installer.zip
        ```
        
        This installs the PyVOL GUI. Select PyVOL under the plugins menu, and
        then select Install from PyPI under the settings tab to fetch PyVOL and
        any missing dependencies. For academic users and non-academic users with
        the Schrodinger incentive PyMOL distribution, installation is now
        complete. For all others, see [manual
        installation](https://schlessingerlab.github.io/pyvol/install.html) of
        msms.
        
        Example Basic Run
        =================
        
        The simplest calculation just using the PyMOL prompt is to load a
        protein of interest and then run the pocket command. This is an example
        for the Sorafenib-bound structure of BRAF:
        
        ``` {.sourceCode .python}
        fetch 1UWH
        pocket "1UWH and chain B"
        ```
        
        More Examples & Documentation
        =============================
        
        For more details on how to run PyVOL, [example
        calculations](https://schlessingerlab.github.io/pyvol/examples.html),
        details on
        [installation](https://schlessingerlab.github.io/pyvol/installation.html),
        and extensive
        [documentation](https://schlessingerlab.github.io/pyvol/pyvol.html),
        look at the project documentation website:
        
        ``` {.sourceCode .bash}
        https://schlessingerlab.github.com/pyvol
        ```
        
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.6
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Description-Content-Type: text/markdown
