How To Install mgltools-molkit on Ubuntu 18.04

In this tutorial we learn how to install mgltools-molkit on Ubuntu 18.04. mgltools-molkit is Python classes to read and manipulate molecules

Introduction

In this tutorial we learn how to install mgltools-molkit on Ubuntu 18.04.

What is mgltools-molkit

mgltools-molkit 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 provides a series of functions to calculate properties of protein structures and allows performing local modifications.

There are three methods to install mgltools-molkit 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-molkit 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-molkit using apt-get by running the following command:

sudo apt-get -y install mgltools-molkit

Install mgltools-molkit Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install mgltools-molkit using apt by running the following command:

sudo apt -y install mgltools-molkit

Install mgltools-molkit 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-molkit using aptitude by running the following command:

sudo aptitude -y install mgltools-molkit

How To Uninstall mgltools-molkit on Ubuntu 18.04

To uninstall only the mgltools-molkit package we can use the following command:

sudo apt-get remove mgltools-molkit

Uninstall mgltools-molkit And Its Dependencies

To uninstall mgltools-molkit and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:

sudo apt-get -y autoremove mgltools-molkit

Remove mgltools-molkit Configurations and Data

To remove mgltools-molkit configuration and data from Ubuntu 18.04 we can use the following command:

sudo apt-get -y purge mgltools-molkit

Remove mgltools-molkit configuration, data, and all of its dependencies

We can use the following command to remove mgltools-molkit configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge mgltools-molkit

References

Summary

In this tutorial we learn how to install mgltools-molkit package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.