How To Install python3-pdb2pqr on Debian 12
Introduction
In this tutorial we learn how to install python3-pdb2pqr on Debian 12.
What is python3-pdb2pqr
python3-pdb2pqr is:
PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations. It thus provides a platform-independent utility for converting protein files in PDB format to PQR format. These tasks include:
- Adding a limited number of missing heavy atoms to biomolecular structures
- Determining side-chain pKas
- Placing missing hydrogens
- Optimizing the protein for favorable hydrogen bonding
- Assigning charge and radius parameters from a variety of force fields
There are three methods to install python3-pdb2pqr 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-pdb2pqr 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-pdb2pqr using apt-get by running the following command:
sudo apt-get -y install python3-pdb2pqr
Install python3-pdb2pqr Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install python3-pdb2pqr using apt by running the following command:
sudo apt -y install python3-pdb2pqr
Install python3-pdb2pqr 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-pdb2pqr using aptitude by running the following command:
sudo aptitude -y install python3-pdb2pqr
How To Uninstall python3-pdb2pqr on Debian 12
To uninstall only the python3-pdb2pqr package we can use the following command:
sudo apt-get remove python3-pdb2pqr
Uninstall python3-pdb2pqr And Its Dependencies
To uninstall python3-pdb2pqr and its dependencies that are no longer needed by Debian 12, we can use the command below:
sudo apt-get -y autoremove python3-pdb2pqr
Remove python3-pdb2pqr Configurations and Data
To remove python3-pdb2pqr configuration and data from Debian 12 we can use the following command:
sudo apt-get -y purge python3-pdb2pqr
Remove python3-pdb2pqr configuration, data, and all of its dependencies
We can use the following command to remove python3-pdb2pqr configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python3-pdb2pqr
Dependencies
python3-pdb2pqr have the following dependencies:
References
Summary
In this tutorial we learn how to install python3-pdb2pqr package on Debian 12 using different package management tools: apt, apt-get and aptitude.
