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.
propka
Heuristic pKa calculations with ligands
mmcif-pdbx
Python utilities for PDBx/mmCIF storage model
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
