How To Install openbabel-gui on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
3 minutes • 430 words
Introduction
In this tutorial we learn how to install openbabel-gui on Ubuntu.
What is openbabel-gui
openbabel-gui 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 openbabel GUI based on wxWidgets.
There are three methods to install openbabel-gui 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 openbabel-gui Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install openbabel-gui using apt-get by running the following command:
sudo apt-get -y install openbabel-gui
Install openbabel-gui Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install openbabel-gui using apt by running the following command:
sudo apt -y install openbabel-gui
Install openbabel-gui 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 openbabel-gui using aptitude by running the following command:
sudo aptitude -y install openbabel-gui
How To Uninstall openbabel-gui on Ubuntu
To uninstall only the openbabel-gui package we can use the following command:
sudo apt-get remove openbabel-gui
Uninstall openbabel-gui And Its Dependencies
To uninstall openbabel-gui and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove openbabel-gui
Remove openbabel-gui Configurations and Data
To remove openbabel-gui configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge openbabel-gui
Remove openbabel-gui configuration, data, and all of its dependencies
We can use the following command to remove openbabel-gui configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge openbabel-gui
Dependencies
openbabel-gui have the following dependencies:
References
Summary
In this tutorial we learn how to install openbabel-gui package on Ubuntu using different package management tools: apt, apt-get and aptitude.