6 projects
pypkamd
PypKa + GROMACS = an awesome Constant-pH Molecular Dynamics implementation
pypka
A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
pdbmender
Mend PDB files
delphi4py
A python wrapper for the Poisson-Boltzmann Equation solver DelPhi
pege
Protein embeddings to describe local electrostic enviroments
pkai
A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
