OCDocker.DB.Models.Receptors module¶

SQLAlchemy model for receptor descriptors and complex relationships.

Usage:

from OCDocker.DB.Models.Receptors import Receptors

class OCDocker.DB.Models.Receptors.Receptors(**kwargs)[source]¶

Bases: Base

SQLAlchemy model for receptor descriptor columns.

Dynamic columns are added from OCDocker.Receptor.Receptor.allDescriptors.

id¶

Primary key.

Type:: sqlalchemy.Integer

complexes¶

Related docking complexes for this receptor.

Type:: list[Complexes]

allDescriptors¶

Names of dynamically mapped descriptor columns (class attribute).

Type:: list[str]

complexes¶

descriptors_names = {'count': ['A', 'R', 'N', 'D', 'C', 'Q', 'E', 'G', 'H', 'I', 'L', 'K', 'M', 'F', 'P', 'S', 'T', 'W', 'Y', 'V']}¶

single_descriptors = ['TotalAALength', 'AvgAALength', 'countChain', 'SASA', 'DipoleMoment', 'IsoelectricPoint', 'GRAVY', 'Aromaticity', 'InstabilityIndex']¶

Aromaticity¶

AvgAALength¶

DipoleMoment¶

GRAVY¶

InstabilityIndex¶

IsoelectricPoint¶

SASA¶

TotalAALength¶

allDescriptors = ['countA', 'countR', 'countN', 'countD', 'countC', 'countQ', 'countE', 'countG', 'countH', 'countI', 'countL', 'countK', 'countM', 'countF', 'countP', 'countS', 'countT', 'countW', 'countY', 'countV', 'TotalAALength', 'AvgAALength', 'countChain', 'SASA', 'DipoleMoment', 'IsoelectricPoint', 'GRAVY', 'Aromaticity', 'InstabilityIndex']¶

countA¶

countC¶

countChain¶

countD¶

countE¶

countF¶

countG¶

countH¶

countI¶

countK¶

countL¶

countM¶

countN¶

countP¶

countQ¶

countR¶

countS¶

countT¶

countV¶

countW¶

countY¶

created_at¶

id¶

modified_at¶

name¶