How To Install mgltools-pyautodock on Ubuntu 18.04
Introduction
In this tutorial we learn how to install mgltools-pyautodock on Ubuntu 18.04.
What is mgltools-pyautodock
mgltools-pyautodock is:
This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds. This package provides a Python implementation of the autodock3 scoring function and of the new autodock4 scoring function. Also it includes a Python implementation of AutoGrid.
AutoDock is a well established package for the automated screening of libraries of formal representation of chemical compounds that putatively bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses.
There are three methods to install mgltools-pyautodock on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install mgltools-pyautodock Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install mgltools-pyautodock using apt-get by running the following command:
sudo apt-get -y install mgltools-pyautodock
Install mgltools-pyautodock Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install mgltools-pyautodock using apt by running the following command:
sudo apt -y install mgltools-pyautodock
Install mgltools-pyautodock Using aptitude
If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install mgltools-pyautodock using aptitude by running the following command:
sudo aptitude -y install mgltools-pyautodock
How To Uninstall mgltools-pyautodock on Ubuntu 18.04
To uninstall only the mgltools-pyautodock package we can use the following command:
sudo apt-get remove mgltools-pyautodock
Uninstall mgltools-pyautodock And Its Dependencies
To uninstall mgltools-pyautodock and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove mgltools-pyautodock
Remove mgltools-pyautodock Configurations and Data
To remove mgltools-pyautodock configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge mgltools-pyautodock
Remove mgltools-pyautodock configuration, data, and all of its dependencies
We can use the following command to remove mgltools-pyautodock configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge mgltools-pyautodock
References
Summary
In this tutorial we learn how to install mgltools-pyautodock package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
