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2014-3 Schrodinger Python API
Package schrodinger :: Package structutils :: Package interactions :: Module pi :: Class CationPiInteraction
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Class CationPiInteraction

object --+
         |
        CationPiInteraction

The object that stores the data for a Cation-Pi interaction

Instance Methods [hide private]
 
__init__(self, cation_structure, pi_structure, cation_centroid, pi_centroid, distance, angle)
Create a CationPiInteraction object

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

Instance Variables [hide private]
schrodinger.structure.Structure object cation_structure
structure that contains the cation
schrodinger.structure.Structure object pi_structure
structure that contains the pi group
Centroid object cation_centroid
Centroid of the positive charge
Centroid object pi_centroid
Centroid of the pi group
float distance
distance between the centroids
float angle
angle in degrees between the centroids
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, cation_structure, pi_structure, cation_centroid, pi_centroid, distance, angle)
(Constructor)

 

Create a CationPiInteraction object

Parameters:
  • cation_structure (schrodinger.structure.Structure object) - structure that contains the cation
  • pi_structure (schrodinger.structure.Structure object) - structure that contains the pi group
  • cation_centroid (Centroid object) - Centroid of the positive charge
  • pi_centroid (Centroid object) - Centroid of the pi group
  • distance (float) - distance between the centroids
  • angle (float) - angle in degrees between the centroids
Overrides: object.__init__

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2014-3 Schrodinger Python API
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