Package ffx.algorithms.commands.test
Class ApplyTorsions
java.lang.Object
ffx.utilities.FFXCommand
ffx.algorithms.cli.AlgorithmsCommand
ffx.algorithms.commands.test.ApplyTorsions
The ApplyTorsions script is used to apply a custom set of torsions to a side chain.
Usage:
ffxc test.ApplyTorsions [options] <filename>
Usage:
ffxc test.ApplyTorsions [options] <filename>
- Author:
- Jacob Litman, Michael Schnieders
-
Field Summary
Fields inherited from class ffx.algorithms.cli.AlgorithmsCommand
activeAssembly, algorithmFunctions, algorithmListener, baseDir
Fields inherited from class ffx.utilities.FFXCommand
args, binding, color, help, logger, parseResult, version
-
Constructor Summary
ConstructorsConstructorDescriptionApplyTorsions Constructor.ApplyTorsions
(FFXBinding binding) ApplyTorsions Constructor.ApplyTorsions
(String[] args) ApplyTorsions constructor that sets the command line arguments. -
Method Summary
Methods inherited from class ffx.algorithms.cli.AlgorithmsCommand
destroyPotentials, getActiveAssemblies, getActiveAssembly, getPotentials, init, saveDirFile, setActiveAssembly, setBaseDir, updateTitle
Methods inherited from class ffx.utilities.FFXCommand
getCommand, helpString, listCommands, setBinding
-
Constructor Details
-
ApplyTorsions
public ApplyTorsions()ApplyTorsions Constructor. -
ApplyTorsions
ApplyTorsions Constructor.- Parameters:
binding
- The Binding to use.
-
ApplyTorsions
ApplyTorsions constructor that sets the command line arguments.- Parameters:
args
- Command line arguments.
-
-
Method Details
-
run
Execute this Command.- Overrides:
run
in classFFXCommand
- Returns:
- The current FFXCommand.
-