How To Install apbs on Debian 10

Learn how to install apbs on Debian 10 with this tutorial. apbs is Adaptive Poisson Boltzmann Solver

Introduction

In this tutorial we learn how to install apbs on Debian 10.

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.

There are three methods to install apbs on Debian 10. 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 Debian. 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 Debian 10

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 Debian 10, we can use the command below:

sudo apt-get -y autoremove apbs

Remove apbs Configurations and Data

To remove apbs configuration and data from Debian 10 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 Debian 10 using different package management tools: apt, apt-get and aptitude.