pdb2reaction add-elem-info

Usage: pdb2reaction add-elem-info [OPTIONS]

  Add/repair element columns (77–78) in a PDB using Biopython.

Options:
  --help-advanced               Show all options (including advanced settings)
                                and exit.
  -i, --input FILE              Input PDB filepath.  [required]
  -o, --out FILE                Output PDB filepath (default: replace ".pdb"
                                with "_add_elem.pdb"; when provided, --overwrite
                                is ignored).
  --overwrite / --no-overwrite  Overwrite the input file in-place when -o/--out
                                is omitted.  [default: no-overwrite]
  -h, --help                    Show this message and exit.