How To Install apbs on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
3 minutes • 454 words
Introduction
In this tutorial we learn how to install apbs on Ubuntu.
What is apbs
apbs is:
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including:
- simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics,
- implicit solvent molecular dynamics of biomolecules ,
- solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design,
- and biomolecular titration studies.
APBS was designed to efficiently evaluate electrostatic properties for such simulations for a wide range of length scales to enable the investigation of molecules with tens to millions of atoms.
This package contains the apbs program and utilities.
There are three methods to install apbs 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 apbs Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install apbs using apt-get by running the following command:
sudo apt-get -y install apbs
Install apbs Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install apbs using apt by running the following command:
sudo apt -y install apbs
Install apbs 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 apbs using aptitude by running the following command:
sudo aptitude -y install apbs
How To Uninstall apbs on Ubuntu
To uninstall only the apbs package we can use the following command:
sudo apt-get remove apbs
Uninstall apbs And Its Dependencies
To uninstall apbs and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove apbs
Remove apbs Configurations and Data
To remove apbs configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge apbs
Remove apbs configuration, data, and all of its dependencies
We can use the following command to remove apbs configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge apbs
Dependencies
apbs have the following dependencies:
References
Summary
In this tutorial we learn how to install apbs package on Ubuntu using different package management tools: apt, apt-get and aptitude.