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.
