molecupy.pdb.pdb (PDBs)

This module contains creates the final Pdb object itself, and processes the data contained in the data file.

class molecupy.pdb.pdb.Pdb(data_file)

A representation of a PDB file and its contents, including the structure.

Parameters:data_file (PdbDataFile) – The PDB data file with the parsed values.

data_file()

The PdbDataFile from which the object was created.

Return type:PdbDataFile

classification()

The PDB classification.

Return type:str

deposition_date()

The date the PDB was deposited.

Return type:datetime.Date

pdb_code()

The PDB four-letter code.

Return type:str

is_obsolete()

True if the PDB has been made obsolete by a newer PDB.

Return type:bool

obsolete_date()

The date the PDB was made obsolete.

Return type:datetime.Date

replacement_code()

The PDB code of the replacing PDB.

Return type:str

title()

The title of the PDB.

Return type:str

split_codes()

The PDB codes which complete this structure.

Return type:list

caveat()

Any caveats for this structure.

Return type:str

keywords()

Keywords for this PDB.

Return type:list

experimental_techniques()

The experimental techniques used to produce this PDB.

Return type:list

model_count()

The number of models in this PDB.

Return type:int

model_annotations()

Annotations for the PDB’s models.

Return type:list

authors()

The PDB’s authors.

Return type:list

revisions()

Any changes made to the PDB file.

Return type:list

supercedes()

The PDB codes that this PDB replaces.

Return type:list

supercede_date()

The date this PDB replaced another.

Return type:datetime.Date

journal()

The publication information for this PDB.

Return type:dict

models()

The PDB’s models.

Return type:list

model()

The first Model in the PDB models.

Return type:Model