How to Install and Uninstall pdb2pqr Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: December 28,2024

1. Install "pdb2pqr" package

Please follow the steps below to install pdb2pqr on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                pdb2pqr
            
                    
    
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2. Uninstall "pdb2pqr" package

Learn how to uninstall pdb2pqr on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                pdb2pqr
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the pdb2pqr package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: pdb2pqr
Priority: optional
Section: universe/science
Installed-Size: 2695
Maintainer: Ubuntu Developers
Original-Maintainer: Debian Med
Architecture: amd64
Version: 2.1.0+dfsg-1
Replaces: propka
Provides: propka
Depends: libc6 (>= 2.14), libgcc1 (>= 1:3.0), libpython2.7 (>= 2.7), libstdc++6 (>= 5.2), python:any (>= 2.6.6-7~), python2.7:any, python-numpy
Suggests: apbs
Filename: pool/universe/p/pdb2pqr/pdb2pqr_2.1.0+dfsg-1_amd64.deb
Size: 364824
MD5sum: fd01d8d131d6f2d08a6900798fda796b
SHA1: 624fde5d79856205085d150853818bd0c271e187
SHA256: 1b4dcec9c369dc7a473b3df900508005691f290fd24ffd269cbe58720274128f
Description-en: 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.
Description-md5: c9a453086cb5c3679e524923f0e977d2
Enhances: autodocktools
Homepage: http://pdb2pqr.poissonboltzmann.org/pdb2pqr/
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu