How To Install python-openbabel on Ubuntu 18.04
Introduction
In this tutorial we learn how to install python-openbabel on Ubuntu 18.04.
What is python-openbabel
python-openbabel 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 Python binding.
There are three methods to install python-openbabel 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 python-openbabel Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install python-openbabel using apt-get by running the following command:
sudo apt-get -y install python-openbabel
Install python-openbabel Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install python-openbabel using apt by running the following command:
sudo apt -y install python-openbabel
Install python-openbabel 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 python-openbabel using aptitude by running the following command:
sudo aptitude -y install python-openbabel
How To Uninstall python-openbabel on Ubuntu 18.04
To uninstall only the python-openbabel package we can use the following command:
sudo apt-get remove python-openbabel
Uninstall python-openbabel And Its Dependencies
To uninstall python-openbabel and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove python-openbabel
Remove python-openbabel Configurations and Data
To remove python-openbabel configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge python-openbabel
Remove python-openbabel configuration, data, and all of its dependencies
We can use the following command to remove python-openbabel configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python-openbabel
References
Summary
In this tutorial we learn how to install python-openbabel package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
