Usage: mlmm oniom-import [OPTIONS]
Import ONIOM input (Gaussian g16 or ORCA) and reconstruct XYZ + B-factor
layered PDB.
Options:
--help-advanced Show all options (including advanced settings) and
exit.
-i, --input FILE Input ONIOM file (.gjf/.com for g16, .inp for ORCA).
[required]
--mode [g16|orca] Input mode. If omitted, inferred from input suffix.
-o, --out-prefix PATH Output prefix. Defaults to input stem in the current
working directory.
--ref-pdb FILE Reference PDB to preserve atom naming/residue metadata
(atom count must match).
-h, --help Show this message and exit.