Class MolecularSurfaceArea

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
    _MaestroAnalysis --+
                       |
                      MolecularSurfaceArea

Calculate the molecular surface area. The result is a single scalar number.

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, asl, grid_spacing=None)
x.__init__(...) initializes x; see help(type(x)) for signature

_postcalc(self, calc, *_)

Inherited from _MaestroAnalysis (private): _getCentered, _precalc

Inherited from GeomAnalyzerBase: __call__

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, msys_model, cms_model, asl, grid_spacing=None)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

asl (str) - ASL expression to select atoms whose secondary-structure property is of interest.

Overrides: object.__init__

_postcalc(self, calc, *_)

Overrides: GeomAnalyzerBase._postcalc: (inherited documentation)

Class MolecularSurfaceArea

__init__(self, msys_model, cms_model, asl, grid_spacing=None) (Constructor)

_postcalc(self, calc, *_)

init(self, msys_model, cms_model, asl, grid_spacing=None)
(Constructor)