Protein

Implementation of protein class.

PreparedProtein(*args, **kwargs)

Bases: Protein, Prepared

A protein that has been prepared for some downstream application.

Protein(*args, **kwargs)

Bases: Structure

Protein class that contains functions for loading proteins and preparing them for docking class.

pdb

Return the PDB text.

get_pdb_from_rcsb(pdb_id)

Download a PDB file from the RCSB PDB database.

PARAMETER	DESCRIPTION
pdb_id	PDB ID of the protein to download.

RETURNS	DESCRIPTION
str	The PDB file as a string.

load(file_path=None, write=False, write_path=None, pdb_id=None)

Load structural information for a protein.

PARAMETER	DESCRIPTION
file_path	Path to file to load.
write	Keep structure in file and load when requested. If False, this will keep the structure in memory.
write_path	Path to write to file. If None, then a NamedTemporaryFile will be created instead.
pdb_id	Four-letter code to load structure from RCSB.