Class IdentifyRotamers


public class IdentifyRotamers extends AlgorithmsCommand
The IdentifyRotamers script attempts to identify which rotamer each Residue in the system is in.
Usage:
ffxc test.IdentifyRotamers [options] <filename>
  • Constructor Details

    • IdentifyRotamers

      public IdentifyRotamers()
      IdentifyRotamers Constructor.
    • IdentifyRotamers

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

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