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

Class Torsion

      object --+    
               |    
GeomAnalyzerBase --+
                   |
                  Torsion

Calculate the torsion formed between four atoms. Result is a scalar (dihedral angle in degrees) for each trajectory frame.

Instance Methods

__init__(self, msys_model, cms_model, aid0, aid1, aid2, aid3)
The torsion is defined by the four atoms:

_precalc(self, calc)

_postcalc(self, calc, *_)

Inherited from GeomAnalyzerBase: __call__

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

Properties

Inherited from object: __class__

Method Details


The torsion is defined by the four atoms:

  0 o           o 3
     \         /
      \       /
     1 o-----o 2