InitAll SetProp interactiveSession false SetProp verbosity 3 SetProp writeSessionOnExit false SetProp stopOnError true ReadEntryPDB 1qry.pdb CalcBond 0.1 CalcHydrogenBond 2.7 3.35 90.0 CalcCoPlanarBasesSet 45.0 y 1qry_wc.csv Quit