Package schrodinger :: Package structutils :: Package interactions :: Module pi :: Class CationPiInteraction

Class CationPiInteraction

object --+
         |
        CationPiInteraction

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

Instance Methods

__init__(self, cation_structure, pi_structure, cation_centroid, pi_centroid)
Create a CationPiInteraction object

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

Instance Variables

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

Properties

float distance

float angle

Inherited from object: __class__

Method Details

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__

Property Details