pdb2pqr

Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install pdb2pqr

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
3.7.1 2024-12-28    
3.6.2 2024-01-03    
3.6.1 2023-03-12  
3.6.0 2023-03-12  
3.5.2 2022-01-24  
3.5.1 2022-01-18  
3.5.0 2022-01-01  
3.4.1 2021-12-28  
3.4.0 2021-12-12  
3.3.3 2021-11-25  
3.3.2 2021-11-21  
3.3.1 2021-11-14  
3.2.3 2021-11-14  
3.2.0 2021-08-05  
3.1.0 2020-12-22  
3.0.1 2020-07-03  
3.0.0 yanked 2020-07-03  

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Page last updated 2025-06-27 18:12:18 UTC