How To Install autodock on Debian 10
Introduction
In this tutorial we learn how to install autodock
on Debian 10.
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 Debian 10. 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 Debian. 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 Debian 10
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 Debian 10, we can use the command below:
sudo apt-get -y autoremove autodock
Remove autodock Configurations and Data
To remove autodock
configuration and data from Debian 10 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
Dependencies
autodock have the following dependencies:
References
Summary
In this tutorial we learn how to install autodock
package on Debian 10 using different package management tools: apt
, apt-get
and aptitude
.