AutoDockBondClassifier

ConfPlayer

Graphical User Interface to Play AutoDock Conformations which are results of

Conformation

DlgParser

This Object parses the result of an AutoDock job and returns a dictionary.

Docking

This Object is the result of an AutoDock job.

DockingParameters

EntropiaParser

EpdbParser

This Object parses the result of an AutoDock command mode epdb operation. It builds a dictionary.

GridParameters

LigandMixin

This MIXIN Object adds AutoDock Ligand features to a MolKit.Protein

ResultParser

Tests

Reference Manual: AutoDockTools.Tests

TrajParser

This Object parses the result of a trajectory AutoDock run and returns a dictionary.

AutoDockTools

adthosts

autoanalyzeCommands

This Module facilitates analyzing results of autodock jobs.

autodockHosts

autodpfCommands

This Module facilitates producing a docking parameter file for AutoDock. The steps in this process are:

autoflexCommands

This Module facilitates producing a files for AutoDock. The steps in this process are:

autogpfCommands

This Module facilitates producing a grid parameter file for AutoGrid. The steps in this process are:

autopilotCommands

This Module facilitates the launching of large numbers of AutoDock jobs

autostartCommands

This Module facilitates starting autogrid and autodock jobs and managing them

autotorsCommands

This Module facilitates selecting and formatting a ligand for a subsequent

cluster

Some definitions:

cluster_ad

cmdlib

energyCalculator

This class calculates the AutoDock internal energy for a set of atoms.

energyConstants

histogram

interactiveHistogramGraph

modlib

sol_par

runAdt