Class Deuterate


public class Deuterate extends AlgorithmsCommand
Deuterate changes exchangeable hydrogen atoms to deuterium atoms for a PDB file.
Usage:
ffxc xray.Deuterate <pdbfile1>
  • Constructor Details

    • Deuterate

      public Deuterate()
      Deuterate constructor.
    • Deuterate

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

      public Deuterate(FFXBinding binding)
      Deuterate constructor.
      Parameters:
      binding - The Binding to use.
  • Method Details