old_contents: #!/usr/bin/env python
  """PROPKA script.
  
  This is the original propka script. However, this distribute-based
  installation moved the main() function into propka.run.main and just
  generates a script called propka31 from the setup.py installation
  script. You should not need to use this script.
  
  (Also note that there can be import problems because the script name
  is the same as the module name; that's why the new script is called
  propka31.)
  """
  from propka.lib import loadOptions
  from propka.input import read_parameter_file, read_molecule_file
  from propka.parameters import Parameters
  from propka.molecular_container import MolecularContainer
  
  
  def main():
      """Read in structure files, calculates pKa values, and prints pKa files."""
      # loading options, flaggs and arguments
      options = loadOptions([])
      pdbfiles = options.filenames
      parameters = read_parameter_file(options.parameters, Parameters())
  
      for pdbfile in pdbfiles:
          my_molecule = MolecularContainer(parameters, options)
          my_molecule = read_molecule_file(pdbfile, my_molecule)
          my_molecule.calculate_pka()
          my_molecule.write_pka()
          if options.generate_propka_input:
              my_molecule.write_propka()
  
  
  if __name__ == '__main__':
      main()
  
new_contents: #!/usr/bin/env python
  """PROPKA script.
  
  This is the original propka script. However, this distribute-based
  installation moved the main() function into propka.run.main and just
  generates a script called `propka32` from the setup.py installation
  script. You should not need to use this script.
  
  (Also note that there can be import problems because the script name
  is the same as the module name; that's why the new script is called
  `propka32`.)
  """
  from propka.lib import loadOptions
  from propka.input import read_parameter_file, read_molecule_file
  from propka.parameters import Parameters
  from propka.molecular_container import MolecularContainer
  
  
  def main():
      """Read in structure files, calculates pKa values, and prints pKa files."""
      # loading options, flaggs and arguments
      options = loadOptions([])
      pdbfiles = options.filenames
      parameters = read_parameter_file(options.parameters, Parameters())
  
      for pdbfile in pdbfiles:
          my_molecule = MolecularContainer(parameters, options)
          my_molecule = read_molecule_file(pdbfile, my_molecule)
          my_molecule.calculate_pka()
          my_molecule.write_pka()
          if options.generate_propka_input:
              my_molecule.write_propka()
  
  
  if __name__ == '__main__':
      main()
  
subject: Fix stray `propka31` to `propka32`.