drugforge.data.backend.openeye.save_receptor_grid

drugforge.data.backend.openeye.save_receptor_grid(du_fn: str | Path, out_fn: str | Path) → Path[source]

Load in a design unit from a file and write out the receptor grid as a .ccp4 grid file.

Parameters:

  • du_fn (Union[str, Path]) – File name/path with the design units.

  • out_fn (Union[str, Path]) – Works with a .ccp4 extension

Returns:

Path to the receptor grid file

Return type:

Path