rdkit.Chem.rdFreeSASA module

Module containing rdFreeSASA classes and functions.

class rdkit.Chem.rdFreeSASA.SASAAlgorithm(*values)

Bases: Enum

LeeRichards = 0

ShrakeRupley = 1

class rdkit.Chem.rdFreeSASA.SASAClass(*values)

Bases: Enum

APolar = 1

Polar = 2

Unclassified = 0

class rdkit.Chem.rdFreeSASA.SASAClassifier(*values)

Bases: Enum

NACCESS = 1

OONS = 2

Protor = 0

class rdkit.Chem.rdFreeSASA.SASAOpts(self)

class rdkit.Chem.rdFreeSASA.SASAOpts(self, alg: rdkit.Chem.rdFreeSASA.SASAAlgorithm, cls: rdkit.Chem.rdFreeSASA.SASAClassifier)

class rdkit.Chem.rdFreeSASA.SASAOpts(self, alg: rdkit.Chem.rdFreeSASA.SASAAlgorithm, cls: rdkit.Chem.rdFreeSASA.SASAClassifier, pr: float)

Bases: object

Overloaded function.

1. __init__(self) -> None

Constructor takes no arguments

2. __init__(self, alg: rdkit.Chem.rdFreeSASA.SASAAlgorithm, cls: rdkit.Chem.rdFreeSASA.SASAClassifier) -> None

3. __init__(self, alg: rdkit.Chem.rdFreeSASA.SASAAlgorithm, cls: rdkit.Chem.rdFreeSASA.SASAClassifier, pr: float) -> None

property algorithm

(self) -> rdkit.Chem.rdFreeSASA.SASAAlgorithm

property classifier

(self) -> rdkit.Chem.rdFreeSASA.SASAClassifier

property probeRadius

(self) -> float