run

Routines for running the code with a given set of options and PDB files.

pdb2pqr.run.run_pdb2pka(ph, force_field, pdb_list, ligand, pdb2pka_params)

Run PDB2PKA

pdb2pqr.run.run_pdb2pqr(pdblist, my_biomolecule, my_definition, options, is_cif)

Run the PDB2PQR Suite