Class CoformerBindingSearch

java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.test.CoformerBindingSearch

public class CoformerBindingSearch extends AlgorithmsCommand
CoformerBindingSearch is a Groovy script that generates a set of molecular orientations in vacuum and calculates the energy of each conformation.
Usage:
ffxc test.CoformerBindingSearch [options] <filename>
  • Constructor Details

    • CoformerBindingSearch

      public CoformerBindingSearch()
      Constructor.
    • CoformerBindingSearch

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

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