How To Install Pdb2pqr On Debian, Ubuntu, Kali And Raspbian?

How To Install Pdb2pqr On Debian, Ubuntu, Kali And Raspbian?

pdb2pqr

Preparation of protein structures for electrostatics calculations

Maintainer: Debian Med Packaging Team



Section: science

Install pdb2pqr

  • Debian apt-get install pdb2pqr Click to copy
  • Ubuntu apt-get install pdb2pqr Click to copy
  • Kali Linux apt-get install pdb2pqr Click to copy
  • Raspbian apt-get install pdb2pqr Click to copy

pdb2pqr

Preparation of protein structures for electrostatics calculations

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 This package also includes PropKa, a tool to modify the protonation state of protein structures in the Protein Data Bank (PDB) format to match a given pKa value. It can also be used to refine NMR structures, which often yield inaccurate pKa values for some residues.

Installing pdb2pqr command is simple. just copy one of the above commands for your operating system and paste it into terminal. This command is available for Debian, Ubuntu, Kali and Raspbian operating systems. Once you run the command it will install the latest version of pdb2pqr 2024 package in your OS.