Repository navigation

pdb2pqr

Public

About

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

www.poissonboltzmann.org/

bioinformatics biophysics chemistry hacktoberfest help-wanted

Code of conduct

Custom properties

177 stars

16 watching

Report repository

Name		Name	Last commit message	Last commit date
.github		.github
docs		docs
examples		examples
pdb2pqr		pdb2pqr
tests		tests
.gitignore		.gitignore
.pre-commit-config.yaml		.pre-commit-config.yaml
.readthedocs.yaml		.readthedocs.yaml
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
CONTRIBUTING.md		CONTRIBUTING.md
COPYING		COPYING
LICENSE.md		LICENSE.md
README.md		README.md
precommit.sh		precommit.sh
pyproject.toml		pyproject.toml
requirements-ci.in		requirements-ci.in
requirements-ci.txt		requirements-ci.txt
ruff_essential.toml		ruff_essential.toml

Repository files navigation

PDB2PQR

This package contains the PDB2PQR software. For more information, please see

Home page: http://www.poissonboltzmann.org/
Documentation: http://pdb2pqr.readthedocs.io

About

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

www.poissonboltzmann.org/

bioinformatics biophysics chemistry hacktoberfest help-wanted

Code of conduct

Custom properties

177 stars

16 watching

Report repository

Releases

Packages

Used by

Contributors

Languages