Package ffx.potential.commands

Class WriteRestraints

java.lang.Object

ffx.utilities.FFXCommand

ffx.potential.cli.PotentialCommand

ffx.potential.commands.WriteRestraints

public class WriteRestraints
extends PotentialCommand

WriteRestraints logs "restrain-position" properties for a PDB/XYZ file. Usage: ffxc WriteRestraints [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
WriteRestraints()
WriteRestraints(FFXBinding binding)
WriteRestraints(String[] args)

Method Summary

Modifier and Type	Method	Description
WriteRestraints	run()	Execute this Command.

Methods inherited from class ffx.potential.cli.PotentialCommand

destroyPotentials, getActiveAssemblies, getActiveAssembly, getBaseDirString, getPotentials, init, 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

WriteRestraints

public WriteRestraints()

WriteRestraints

public WriteRestraints(FFXBinding binding)

WriteRestraints

public WriteRestraints(String[] args)

Method Details

run

public WriteRestraints run()

Description copied from class: FFXCommand

Execute this Command.

Overrides:

run in class FFXCommand

Returns:

The current FFXCommand.