Introduction
In this tutorial we learn how to install autodock-vina on Ubuntu 22.04.
What is autodock-vina
autodock-vina is:
AutoDock Vina is a program to support drug discovery, molecular
docking and virtual screening of compound libraries. It offers
multi-core capability, high performance and enhanced accuracy
and ease of use.
The same institute also developed autodock, which is widely used.
O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy
of docking with a new scoring function, efficient optimization and
multithreading, Journal of Computational Chemistry 31 (2010) 455-461
There are three methods to install autodock-vina on Ubuntu 22.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install autodock-vina Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install autodock-vina using apt-get by running the following command:
sudo apt-get -y install autodock-vina
Install autodock-vina Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install autodock-vina using apt by running the following command:
sudo apt -y install autodock-vina
Install autodock-vina 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 autodock-vina using aptitude by running the following command:
sudo aptitude -y install autodock-vina
How To Uninstall autodock-vina on Ubuntu 22.04
To uninstall only the autodock-vina package we can use the following command:
sudo apt-get remove autodock-vina
Uninstall autodock-vina And Its Dependencies
To uninstall autodock-vina and its dependencies that are no longer needed by Ubuntu 22.04, we can use the command below:
sudo apt-get -y autoremove autodock-vina
Remove autodock-vina Configurations and Data
To remove autodock-vina configuration and data from Ubuntu 22.04 we can use the following command:
sudo apt-get -y purge autodock-vina
Remove autodock-vina configuration, data, and all of its dependencies
We can use the following command to remove autodock-vina configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge autodock-vina
References
Summary
In this tutorial we learn how to install autodock-vina package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.
