Package AutoDockTools :: Module autostartCommands

Module autostartCommands

source code

This Module facilitates starting autogrid and autodock jobs and managing them

Classes

ADKill

ADProcessManager

AutoStarter
Base class for AutoGridStarter and AutoDockStarter, whose command structure is very similar with a few differences such as programType, title for file browser, first letters of required parameter and log file extensions and the presence or absence of possible flags,etc

AutoGridStarter
Interactive usage: The user chooses host and parameter file and starts the Autogrid job.

AutoDockStarter
Interactive usage: The user chooses host and parameter file and starts the Autodock job.

AddAutoDockHost
this class allows user to add entries to hosts dictionary and write them to a file

Functions

[hide private]

removePCs()

initModule(vf)

Variables

[hide private]

entropiaPresent = 0

menuText = {'processManagerMB': 'Job Status...', 'startGridMB':...

ADProcessManagerGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...

AutoGridStarterGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...

AutoDockStarterGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...

AddAutoDockHostGUI = <ViewerFramework.VFCommand.CommandGUI instance at 0x...

commandList = [{'gui': <ViewerFramework.VFCommand.CommandGUI insta...

Function Details

[hide private]

removePCs()

source code

None

initModule(vf)

source code

None

Variables Details

[hide private]

entropiaPresent

None

Value:

menuText

None

Value:

{'StartMB': 'Run',
 'editHostsMB': 'Host Preferences...',
 'processManagerMB': 'Job Status...',
 'startDockMB': 'Run AutoDock...',
 'startGridMB': 'Run AutoGrid...'}

ADProcessManagerGUI

None

Value:

<ViewerFramework.VFCommand.CommandGUI instance at 0xb794d96c>

AutoGridStarterGUI

None

Value:

<ViewerFramework.VFCommand.CommandGUI instance at 0xb79564cc>

AutoDockStarterGUI

None

Value:

<ViewerFramework.VFCommand.CommandGUI instance at 0xb795660c>

AddAutoDockHostGUI

None

Value:

<ViewerFramework.VFCommand.CommandGUI instance at 0xb79566cc>

commandList

None

Value:

[{'cmd': self.,
  'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0xb79564cc>
,
  'name': 'ADstart_autogrid'},
 {'cmd': self.,
  'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0xb795660c>
,
  'name': 'ADstart_autodock'},
...