Package schrodinger :: Package application :: Package matsci :: Module desmondutils :: Class MSAnalysisMSJStringer

Class MSAnalysisMSJStringer

 object --+    
          |    
MSJStringer --+
              |
             MSAnalysisMSJStringer

An MSJStringer class for MS MD Analysis stages

Instance Methods

__init__(self, analysis_type=None, **kwargs)
Create a MSAnalysisMSJStringer object

str

getTitle(self)
Return a title for the stage describing the main parameters.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

Properties

Inherited from object: __class__

Method Details

Create a MSAnalysisMSJStringer object

Any keyword that does not have a value supplied will use the default Desmond value for MD simulations.

Parameters:

analysis_type (str) - A string in the form of [ property property ] that lists the properties to be computed in the analysis.
All other keyword arguments are turned into lines in the .msj file. See parent class for additional information.

Overrides: object.__init__

Return a title for the stage describing the main parameters.