How To Install python3-propka on Debian 12

Learn how to install python3-propka on Debian 12 with this tutorial. python3-propka is heuristic pKa calculations with ligands (Python 3)

Introduction

In this tutorial we learn how to install python3-propka on Debian 12.

What is python3-propka

python3-propka is:

PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and protein-ligand complexes (version 3.1 and later) based on the 3D structure.

For proteins without ligands both versions should produce the same result.

This package installs the library for Python 3.

There are three methods to install python3-propka on Debian 12. 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-propka 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-propka using apt-get by running the following command:

sudo apt-get -y install python3-propka

Install python3-propka Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install python3-propka using apt by running the following command:

sudo apt -y install python3-propka

Install python3-propka 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 python3-propka using aptitude by running the following command:

sudo aptitude -y install python3-propka

How To Uninstall python3-propka on Debian 12

To uninstall only the python3-propka package we can use the following command:

sudo apt-get remove python3-propka

Uninstall python3-propka And Its Dependencies

To uninstall python3-propka and its dependencies that are no longer needed by Debian 12, we can use the command below:

sudo apt-get -y autoremove python3-propka

Remove python3-propka Configurations and Data

To remove python3-propka configuration and data from Debian 12 we can use the following command:

sudo apt-get -y purge python3-propka

Remove python3-propka configuration, data, and all of its dependencies

We can use the following command to remove python3-propka configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge python3-propka

Dependencies

python3-propka have the following dependencies:

References

Summary

In this tutorial we learn how to install python3-propka package on Debian 12 using different package management tools: apt, apt-get and aptitude.