Ligand

Implementation of ligand class.

DockedLigand(*args, **kwargs)

Bases: Ligand

Class for docked ligands to be docked to proteins.

Ligand(*args, **kwargs)

Bases: Structure

Class for ligands to be docked to proteins.

ligand_text

Return the ligand text.

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

Load structural information for a ligand.

PARAMETER	DESCRIPTION
file_path	Path to ligand file.
write	if true write the ligand to disk. Default is False.
write_path	Path to write ligand to disk.
pdb_id	PDB ID of ligand to download.

Returns: None

PreparedLigand(*args, **kwargs)

Bases: Ligand, Prepared

Class for prepared ligands to be docked to proteins.