drugforge.data.backend.openeye.save_openeye_design_unit

drugforge.data.backend.openeye.save_openeye_design_unit(du: openeye.oechem.OEDesignUnit, du_fn: str | Path) → Path

Write an OpenEye design unit to a file

Parameters:

• du (oechem.OEDesignUnit) – The OpenEye DesignUnit to write to the file.

• du_fn (Union[str, Path]) – The path of the DesignUnit file to create or overwrite.

Returns:

The path of the DesignUnit file that was written.

Return type:

Path

Raises:

oechem.OEError – If the DesignUnit file cannot be opened.

Notes

This function will overwrite any existing file with the same name as du_fn.