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