Package schrodinger :: Package application :: Package desmond :: Package packages :: Module analysis :: Class SecondaryStructure

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Class SecondaryStructure

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
    _MaestroAnalysis --+
                       |
                      SecondaryStructure


Calculate the secondary-structure property for selected atoms. The result is
a list of C{int} numbers, each of which corresponds to a selected atoms and
is one of the following values:

  SecondaryStructure.NONE
  SecondaryStructure.LOOP
  SecondaryStructure.HELIX
  SecondaryStructure.STRAND
  SecondaryStructure.TURN

The selected atoms can be obtained by calling the L{aids} method.

Instance Methods

__init__(self, msys_model, cms_model, aids)
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__

Class Variables

NONE = -1

LOOP = 0
hash(x)

HELIX = 1

STRAND = 2

TURN = 3
hash(x)

Properties

Inherited from object: __class__

Method Details

init(self, msys_model, cms_model, aids)
(Constructor)

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

Parameters:

aids (list of ints) - IDs of atoms to calculate the secondary-structure property for

Overrides: object.__init__

_postcalc(self, calc, *_)

Overrides: GeomAnalyzerBase._postcalc: (inherited documentation)