InChI options

inchi-options

type:string
default:none
description:Options supported by the official InChI plugin.

The following options are supported by the official InChI plugin:

  • /NEWPSOFF
  • /DoNotAddH
  • /SNon
  • /SRel
  • /SRac
  • /SUCF
  • /ChiralFlagON
  • /ChiralFlagOFF
  • /SUU
  • /SLUUD
  • /FixedH
  • /RecMet
  • /KET
  • /15T
m = indigo.loadMolecule("CC1CC(C)OC(C)N1")
print(indigoInchi.getInchi(m))

indigo.setOption("inchi-options", "/SUU")
print(indigoInchi.getInchi(m))

indigo.setOption("inchi-options", "/DoNotAddH /SUU")
print(indigoInchi.getInchi(m))

Output:
InChI=1S/C7H15NO/c1-5-4-6(2)9-7(3)8-5/h5-8H,4H2,1-3H3
InChI=1/C7H15NO/c1-5-4-6(2)9-7(3)8-5/h5-8H,4H2,1-3H3/t5?,6?,7?
InChI=1/C7NO/c1-5-4-6(2)9-7(3)8-5