mdonatello.properties.RotatableBonds

class mdonatello.properties.RotatableBonds(mol: Mol)[source]

A class for calculating the number of the rotatable bonds of a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule for which the number of rotatable bonds is being calculated.

Returns:

float

The number of rotatable bonds of the molecule.

__init__(mol: Mol)

Initializes the Property class with a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule.

Methods

__init__(mol)

Initializes the Property class with a molecule.

Attributes

name

property_value

Calculates the number of rotatable bonds of the molecule.

values_format