Package ffx.potential.commands.test

Class SaveAsConstantPhPDB

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.test.SaveAsConstantPhPDB

public class SaveAsConstantPhPDB
extends PotentialCommand

Save a PDB file that includes all titrating tautomer hydrogen atoms.
Usage:
ffxc test.SaveAsConstantPhPDB [options] <filename>

Field Summary

Fields inherited from class ffx.potential.cli.PotentialCommand

activeAssembly, baseDir, potentialFunctions

Fields inherited from class ffx.utilities.FFXCommand

args, binding, color, help, logger, parseResult, version

Constructor Summary

Constructors

Constructor	Description
SaveAsConstantPhPDB()	SaveAsConstantPhPDB constructor.
SaveAsConstantPhPDB(FFXBinding binding)	SaveAsConstantPhPDB constructor.
SaveAsConstantPhPDB(String[] args)	SaveAsConstantPhPDB constructor that sets the command line arguments.

Method Summary

Modifier and Type	Method	Description
SaveAsConstantPhPDB	run()	Execute the script.

Methods inherited from class ffx.potential.cli.PotentialCommand

createOutputFile, destroyPotentials, getActiveAssemblies, getActiveAssembly, getActiveAssembly, getBaseDirString, getPotentials, getPotentialsFromAssemblies, init, parseFilePath, saveByExtension, saveByExtension, saveByOriginalExtension, saveByOriginalExtension, setActiveAssembly

Methods inherited from class ffx.utilities.FFXCommand

getCommand, helpString, listCommands, setBinding

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

SaveAsConstantPhPDB

public SaveAsConstantPhPDB()

SaveAsConstantPhPDB constructor.

SaveAsConstantPhPDB

public SaveAsConstantPhPDB(FFXBinding binding)

SaveAsConstantPhPDB constructor.

Parameters:

binding - The Binding to use.

SaveAsConstantPhPDB

public SaveAsConstantPhPDB(String[] args)

SaveAsConstantPhPDB constructor that sets the command line arguments.

Parameters:

args - Command line arguments.

Method Details

run

public SaveAsConstantPhPDB run()

Execute the script.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.