scipion-chem-lephar

LePhar is a suite that provides several tools for Virtual Drug Screening. As for today, only protocols for preparing the target and docking are integrated in Scipion-chem-lephar.

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-lephar

Developer’s version

Download repository:

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

Install:

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

Protocols

LePro receptor preparation: Prepares the protein receptor for docking using LePro.
LeDock Docking: Performs docking using LeDock on a receptor or regions of interest (ROIs).