Package Pmv :: Module hbondCommands :: Class GetHydrogenBondEnergies

Class GetHydrogenBondEnergies

ViewerFramework.VFCommand.Command --+    
                                    |    
                  mvCommand.MVCommand --+
                                        |
                                       GetHydrogenBondEnergies

This class allows user to get a list of energies of HydrogenBonds. For this calculation, the bond must have a hydrogen atom AND it must know its type.
Energy calculation based on "Protein Flexibility and dynamics using constraint
theory", J. Molecular Graphics and Modelling 19, 60-69, 2001. MF Thorpe, Ming
Lei, AJ Rader, Donald J.Jacobs and Leslie A. Kuhn.
   
Package : Pmv
   
Module  : hbondCommands
   
Class   : GetHydrogenBondEnergies
   
Command : getHBondEnergies
   
Synopsis:

        [energies] <- getHBondEnergies(nodes, **kw) 
   
Required Arguments:
     
        nodes --- TreeNodeSet holding the current selection

Instance Methods

[hide private]

__init__(self, func=None)

onAddCmdToViewer(self)
method called when an instance of this command is added to the viewer.

__call__(self, nodes, **kw)
[energies] <- getHBondEnergies(nodes, **kw)

getEnergy(self, b)

doit(self, hats)
virtual method.

Inherited from mvCommand.MVCommand: guiCallback, strArg

Inherited from mvCommand.MVCommand (private): _strArg

Inherited from ViewerFramework.VFCommand.Command: __repr__, addCallbackAfter, addCallbackBefore, addUndoCall, afterDoit, beforeDoit, buildFormDescr, buildLogArgList, checkDependencies, cleanup, customizeGUI, doitWrapper, getArguments, getHelp, getLastUsedValues, getLogArgs, getValNamedArgs, log, logString, onAddNewCmd, onCmdRun, setLastUsedValues, setupUndoAfter, setupUndoBefore, showForm, tkCb, updateGeom, warningMsg