6 projects
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.
mmcif-pdbx
Python utilities for PDBx/mmCIF storage model
propka
Heuristic pKa calculations with ligands
go2pdb
This code identifies Protein Data Bank (PDB) entries with specific Gene Ontology (GO) annotations.
old-pdb
This code reads and writes the old Protein Data Bank format.
osmolytes
This code attempts to predict the influence of osmolytes on protein stability
