pdb2reaction energy-diagram

Usage: pdb2reaction energy-diagram [OPTIONS]

  Plot an energy diagram from numeric inputs only. Use -i for values (multiple
  numbers or list-like string).

Options:
  --help-advanced             Show all options (including advanced settings) and
                              exit.
  -i, --input TEXT            Numeric sequence. Accepts: -i 0 12.5 4.3  or  -i
                              "[0, 12.5, 4.3]"  or repeated -i.  [required]
  -o, --output FILE           Output image path.  [default: energy_diagram.png]
  --label-x TEXT              State labels on x-axis. Accepts: --label-x R TS P
                              or  --label-x "['R','TS','P']".
  --label-y TEXT              Y-axis label.  [default: ΔE (kcal/mol)]
  --out-json / --no-out-json  Write machine-readable result.json next to the
                              output image.  [default: no-out-json]
  -h, --help                  Show this message and exit.