How To Install python3-openbabel on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
2 minutes • 424 words
Introduction
In this tutorial we learn how to install python3-openbabel on Ubuntu.
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. 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
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, 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 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
Dependencies
python3-openbabel have the following dependencies:
References
Summary
In this tutorial we learn how to install python3-openbabel package on Ubuntu using different package management tools: apt, apt-get and aptitude.