How To Install autodock-vina on Debian 10
Introduction
In this tutorial we learn how to install autodock-vina
on Debian 10.
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 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-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 Debian. 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 Debian 10
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 Debian 10, 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 Debian 10 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
Dependencies
autodock-vina have the following dependencies:
- libboost-filesystem1.67.0
- libboost-program-options1.67.0
- libboost-system1.67.0
- libboost-thread1.67.0
- libc6
- libgcc1
References
Summary
In this tutorial we learn how to install autodock-vina
package on Debian 10 using different package management tools: apt
, apt-get
and aptitude
.