Class MutatePDB


public class MutatePDB extends AlgorithmsCommand
The MutatePDB script mutates residue(s) of a PDB file.
Usage:
ffxc MutatePDB [options] <pdb>
  • Constructor Details

    • MutatePDB

      public MutatePDB()
      MutatePDB Constructor.
    • MutatePDB

      public MutatePDB(FFXBinding binding)
      MutatePDB Constructor.
      Parameters:
      binding - The Binding to use.
    • MutatePDB

      public MutatePDB(String[] args)
      MutatePDB constructor that sets the command line arguments.
      Parameters:
      args - Command line arguments.
  • Method Details

    • run

      public MutatePDB run()
      Execute the script.
      Overrides:
      run in class FFXCommand
      Returns:
      The current FFXCommand.
    • getPotentials

      public List<Potential> getPotentials()
      Returns a List of all Potential objects associated with this script.
      Overrides:
      getPotentials in class AlgorithmsCommand
      Returns:
      All Potentials. Sometimes empty, never null.