piwheels

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

Dependencies

• docutils
• propka
• numpy
• mmcif-pdbx
• requests

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
3.7.1	2024-12-28
pdb2pqr-3.7.1-py3-none-any.whl (203 KB)
3.6.2	2024-01-03
pdb2pqr-3.6.2-py2.py3-none-any.whl (202 KB)
3.6.1	2023-03-12
pdb2pqr-3.6.1-py2.py3-none-any.whl (203 KB)
3.6.0	2023-03-12
pdb2pqr-3.6.0-py2.py3-none-any.whl (203 KB)
3.5.2	2022-01-24
pdb2pqr-3.5.2-py2.py3-none-any.whl (203 KB)
3.5.1	2022-01-18
pdb2pqr-3.5.1-py2.py3-none-any.whl (203 KB)
3.5.0	2022-01-01
pdb2pqr-3.5.0-py2.py3-none-any.whl (203 KB)
3.4.1	2021-12-28
pdb2pqr-3.4.1-py2.py3-none-any.whl (203 KB)
3.4.0	2021-12-12
pdb2pqr-3.4.0-py2.py3-none-any.whl (203 KB)
3.3.3	2021-11-25
pdb2pqr-3.3.3-py2.py3-none-any.whl (202 KB)
3.3.2	2021-11-21
pdb2pqr-3.3.2-py2.py3-none-any.whl (203 KB)
3.3.1	2021-11-14
pdb2pqr-3.3.1-py2.py3-none-any.whl (203 KB)
3.2.3	2021-11-14
pdb2pqr-3.2.3-py2.py3-none-any.whl (203 KB)
3.2.0	2021-08-05
pdb2pqr-3.2.0-py2.py3-none-any.whl (203 KB)
3.1.0	2020-12-22
pdb2pqr-3.1.0-py2.py3-none-any.whl (202 KB)
3.0.1	2020-07-03
pdb2pqr-3.0.1-py3-none-any.whl (211 KB)
3.0.0 yanked	2020-07-03
pdb2pqr-3.0.0-py3-none-any.whl (211 KB)

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