How To Install avogadro on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
3 minutes • 433 words
Introduction
In this tutorial we learn how to install avogadro on Ubuntu.
What is avogadro
avogadro is:
Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder.
Features include:
- Molecular modeller with automatic force-field based geometry optimization
- Molecular Mechanics including constraints and conformer searches
- Visualization of molecular orbitals and general isosurfaces
- Visualization of vibrations and plotting of vibrational spectra
- Support for crystallographic unit cells
- Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages
- Flexible plugin architecture and Python scripting
File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output.
There are three methods to install avogadro 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 avogadro Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install avogadro using apt-get by running the following command:
sudo apt-get -y install avogadro
Install avogadro Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install avogadro using apt by running the following command:
sudo apt -y install avogadro
Install avogadro 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 avogadro using aptitude by running the following command:
sudo aptitude -y install avogadro
How To Uninstall avogadro on Ubuntu
To uninstall only the avogadro package we can use the following command:
sudo apt-get remove avogadro
Uninstall avogadro And Its Dependencies
To uninstall avogadro and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove avogadro
Remove avogadro Configurations and Data
To remove avogadro configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge avogadro
Remove avogadro configuration, data, and all of its dependencies
We can use the following command to remove avogadro configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge avogadro
Dependencies
avogadro have the following dependencies:
References
Summary
In this tutorial we learn how to install avogadro package on Ubuntu using different package management tools: apt, apt-get and aptitude.