How To Install mgltools-sff on Ubuntu 18.04
Introduction
In this tutorial we learn how to install mgltools-sff on Ubuntu 18.04.
What is mgltools-sff
mgltools-sff is:
This package is part of the mgltools set of Python libraries which provide an infrastructure for the analysis of protein structures and their docking of chemical compounds.
It implements an Amber force field with an interface to a molecular dynamics engine. SFF stands for simple force field. It is a C implementation of the amber force field made by Tom Macke and David Case.
This package exposes a wrapped version of the prm structure which holds the Amber parameters needed for an Amber calculation. It also exposes the mme and md functions to perform molecular mechanics and dynamics respectively.
There are three methods to install mgltools-sff on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install mgltools-sff Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install mgltools-sff using apt-get by running the following command:
sudo apt-get -y install mgltools-sff
Install mgltools-sff Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install mgltools-sff using apt by running the following command:
sudo apt -y install mgltools-sff
Install mgltools-sff 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 mgltools-sff using aptitude by running the following command:
sudo aptitude -y install mgltools-sff
How To Uninstall mgltools-sff on Ubuntu 18.04
To uninstall only the mgltools-sff package we can use the following command:
sudo apt-get remove mgltools-sff
Uninstall mgltools-sff And Its Dependencies
To uninstall mgltools-sff and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove mgltools-sff
Remove mgltools-sff Configurations and Data
To remove mgltools-sff configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge mgltools-sff
Remove mgltools-sff configuration, data, and all of its dependencies
We can use the following command to remove mgltools-sff configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge mgltools-sff
References
Summary
In this tutorial we learn how to install mgltools-sff package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
