drugforge.data.backend.openeye.load_openeye_cif1

drugforge.data.backend.openeye.load_openeye_cif1(cif1_fn: str | Path) → openeye.oechem.OEGraphMol

Loads a biological assembly file into an OEGraphMol object. Current version requires going through an OpenMM intermediate.

Parameters:

cif1_fn (Union[str, Path]) – The path to the input CIF1 file.

Returns:

oechem.OEGraphMol: the biological assembly as an OEGraphMol object.

Return type:

oechem.OEGraphMol