How To Install autodock on Ubuntu 22.04

In this tutorial we learn how to install autodock on Ubuntu 22.04. autodock is analysis of ligand binding to protein structure

Introduction

In this tutorial we learn how to install autodock on Ubuntu 22.04.

What is autodock

autodock is:

AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.

The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.

There are three methods to install autodock 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 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 using apt-get by running the following command:

sudo apt-get -y install autodock

Install autodock Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install autodock using apt by running the following command:

sudo apt -y install autodock

Install autodock 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 using aptitude by running the following command:

sudo aptitude -y install autodock

How To Uninstall autodock on Ubuntu 22.04

To uninstall only the autodock package we can use the following command:

sudo apt-get remove autodock

Uninstall autodock And Its Dependencies

To uninstall autodock and its dependencies that are no longer needed by Ubuntu 22.04, we can use the command below:

sudo apt-get -y autoremove autodock

Remove autodock Configurations and Data

To remove autodock configuration and data from Ubuntu 22.04 we can use the following command:

sudo apt-get -y purge autodock

Remove autodock configuration, data, and all of its dependencies

We can use the following command to remove autodock configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge autodock

References

Summary

In this tutorial we learn how to install autodock package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.