How To Install python3-openbabel on Ubuntu 20.04
Introduction
In this tutorial we learn how to install python3-openbabel
on Ubuntu 20.04.
What is python3-openbabel
python3-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 python3-openbabel
on Ubuntu 20.04. We can use apt-get
, apt
and aptitude
. In the following sections we will describe each method. You can choose one of them.
Install python3-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 python3-openbabel
using apt-get
by running the following command:
sudo apt-get -y install python3-openbabel
Install python3-openbabel Using apt
Update apt database with apt
using the following command.
sudo apt update
After updating apt database, We can install python3-openbabel
using apt
by running the following command:
sudo apt -y install python3-openbabel
Install python3-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 python3-openbabel
using aptitude
by running the following command:
sudo aptitude -y install python3-openbabel
How To Uninstall python3-openbabel on Ubuntu 20.04
To uninstall only the python3-openbabel
package we can use the following command:
sudo apt-get remove python3-openbabel
Uninstall python3-openbabel And Its Dependencies
To uninstall python3-openbabel
and its dependencies that are no longer needed by Ubuntu 20.04, we can use the command below:
sudo apt-get -y autoremove python3-openbabel
Remove python3-openbabel Configurations and Data
To remove python3-openbabel
configuration and data from Ubuntu 20.04 we can use the following command:
sudo apt-get -y purge python3-openbabel
Remove python3-openbabel configuration, data, and all of its dependencies
We can use the following command to remove python3-openbabel
configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python3-openbabel
References
Summary
In this tutorial we learn how to install python3-openbabel
package on Ubuntu 20.04 using different package management tools: apt
, apt-get
and aptitude
.