scipion-chem / scipion-chem-lephar Goto Github PK

Documentation under development, sorry for the inconvenience

LePhar software plugin defining objects and protocols for docking.

Full documentation to this plugin can be found in the official documentation page.

You will need to use 3.0.0 version of Scipion to run these protocols. To install the plugin, you have two options:

• Stable version (Currently not available)

scipion3 installp -p scipion-chem-lephar

OR

• through the plugin manager GUI by launching Scipion and following Configuration >> Plugins

• Developer's version

1. Download repository:

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

2. Switch to the desired branch (master or devel):

Scipion-chem-lephar is constantly under development and including new features. If you want a relatively older an more stable version, use master branch (default). If you want the latest changes and developments, user devel branch.

cd scipion-chem-lephar
git checkout devel

3. Install:

scipion3 installp -p path_to_scipion-chem-lephar --devel

Currently, the following programs are included in the Scipion interface:

• LePro: For protein structure preparation
• LeDock: For protein-ligand docking

Status devel version:

Status production version: