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

Class Gyradius

      object --+            
               |            
GeomAnalyzerBase --+        
                   |        
            CenterOf --+    
                       |    
                     Com --+
                           |
                          Gyradius

Class for computing radius of gyration under periodic boundary condition.

For each frame, the result is the radius of gyration as float

Instance Methods

[hide private]

_postcalc(self, calc, pbc, fr)
Result is (center, unwrapped-positions), where the first element is the unwrapped center, and the second element is a list of unwrapped positions of the selected atoms.

Inherited from Com: __init__

Inherited from CenterOf (private): _calcCircMean, _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]

_postcalc(self, calc, pbc, fr)

Result is (center, unwrapped-positions), where the first element is the unwrapped center, and the second element is a list of unwrapped positions of the selected atoms.

Overrides: GeomAnalyzerBase._postcalc: (inherited documentation)