Metadata-Version: 2.1
Name: bio-pyvol
Version: 1.2.43
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
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
Requires-Dist: biopython (>=1.73)
Requires-Dist: numpy (>=1.16.1)
Requires-Dist: pandas (>=0.24.1)
Requires-Dist: scipy (>=1.2.1)
Requires-Dist: scikit-learn (>=0.20.2)
Requires-Dist: trimesh (>=2.36.29)
Requires-Dist: configparser

---
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
```


