scipion-chem-fpocket

FPocket is one of the most widely known programs for protein pocket detection. In this plugin we include the main tool for pocket prediction, FPocket, together with the tool for predicting pockets over a Molecular Dynamics simulation, MDPocket (in devel).

Installation

A) Requirements

In order to use this plugin, you need to install first scipion-chem.

B) Installation steps

• Install the stable version

  Through the plugin manager GUI by launching Scipion and following Others >> Plugin Manager, or

scipion3 installp -p scipion-chem-fpocket

• Developer’s version

  1. Download repository:

  git clone https://github.com/scipion-chem/scipion-chem-fpocket.git

  2. Install:

  scipion3 installp -p /path/to/scipion-chem-fpocket --devel

Warning

Installation of the stable version through the Plugin Manager or with the command provided above is not available yet.

Please install the developer version until a stable version is released, or install the latest stable version with the following steps:

cd /path/to/scipion-chem-fpocket && git checkout master && scipion3 installp -p . --devel

Protocols

• Pocket prediction: Predicts the pockets of an atomic structure based on its concavities (using alpha-speheres) and its electrostatics.