Introduction
In this tutorial we learn how to install autodocksuite on CentOS 8.
What is autodocksuite
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock 4 actually consists of two main programs describing the target protein; autogrid pre-calculates these grids. In addition to using them for docking, the atomic affinity grids can be visualized. This can help, for example, to guide organic synthetic chemists design better binders.
We can use yum or dnf to install autodocksuite on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install autodocksuite.
Install autodocksuite on CentOS 8 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install autodocksuite using dnf by running the following command:
sudo dnf -y install autodocksuite
Install autodocksuite on CentOS 8 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install autodocksuite using yum by running the following command:
sudo yum -y install autodocksuite
How To Uninstall autodocksuite on CentOS 8
To uninstall only the autodocksuite package we can use the following command:
sudo dnf remove autodocksuite
autodocksuite Package Contents on CentOS 8
/usr/bin/autodock4
/usr/bin/autogrid4
/usr/lib/.build-id
/usr/lib/.build-id/2e
/usr/lib/.build-id/2e/9635167220ea046b9656b8dc2fb35dc0c27796
/usr/lib/.build-id/84
/usr/lib/.build-id/84/86103b1d97e4f264defe0b5347d47d26b836fb
/usr/share/licenses/autodocksuite
/usr/share/licenses/autodocksuite/COPYING
References
Summary
In this tutorial we learn how to install autodocksuite on CentOS 8 using yum and dnf.
