How To Install libopenbabel4v5 on Ubuntu 18.04

In this tutorial we learn how to install libopenbabel4v5 on Ubuntu 18.04. libopenbabel4v5 is Chemical toolbox library

Introduction

In this tutorial we learn how to install libopenbabel4v5 on Ubuntu 18.04.

What is libopenbabel4v5

libopenbabel4v5 is:

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

  • Hydrogen addition and deletion
  • Support for Molecular Mechanics
  • Support for SMARTS molecular matching syntax
  • Automatic feature perception (rings, bonds, hybridization, aromaticity)
  • Flexible atom typer and perception of multiple bonds from atomic coordinates
  • Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains the shared library.

There are three methods to install libopenbabel4v5 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 libopenbabel4v5 Using apt-get

Update apt database with apt-get using the following command.

sudo apt-get update

After updating apt database, We can install libopenbabel4v5 using apt-get by running the following command:

sudo apt-get -y install libopenbabel4v5

Install libopenbabel4v5 Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install libopenbabel4v5 using apt by running the following command:

sudo apt -y install libopenbabel4v5

Install libopenbabel4v5 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 libopenbabel4v5 using aptitude by running the following command:

sudo aptitude -y install libopenbabel4v5

How To Uninstall libopenbabel4v5 on Ubuntu 18.04

To uninstall only the libopenbabel4v5 package we can use the following command:

sudo apt-get remove libopenbabel4v5

Uninstall libopenbabel4v5 And Its Dependencies

To uninstall libopenbabel4v5 and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:

sudo apt-get -y autoremove libopenbabel4v5

Remove libopenbabel4v5 Configurations and Data

To remove libopenbabel4v5 configuration and data from Ubuntu 18.04 we can use the following command:

sudo apt-get -y purge libopenbabel4v5

Remove libopenbabel4v5 configuration, data, and all of its dependencies

We can use the following command to remove libopenbabel4v5 configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge libopenbabel4v5

References

Summary

In this tutorial we learn how to install libopenbabel4v5 package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.