molecupy.pdb.pdbdatafile (PDB Data File)

This module performs the actual parsing of the PDB file, though it does not process the values that it extracts.

class molecupy.pdb.pdbdatafile.PdbDataFile

This object is essentially a list of values extracted from a PDB file. It functions as a data sheet.

source()

The object from which this PdbDataFile was created.

to_pdb_file()

Converts the PdbDataFile to a PdbFile.

classification(classification=None)

The classification of the PDB.

Parameters:classification (str) – if given, the classifcation will be set to this. Return type:str