Basic export options

Codename

Explanation

a, +a, +a_gen

General aromatization. Example: "XXX:a"

a_bas

Basic aromatization. Example: "XXX:a_bas"

a_loose

Loose aromatization. Example: "XXX:a_loose"

a_ambig

Ambiguous aromatization. Example: "XXX:a_ambig"

-a, -a_gen

General Dearomatization. Example: "XXX:-a"

-a_huckel

Huckel dearomatization. Example: "XXX:-a_huckel"

-a_huckel_ex

Huckel dearomatization, throwing exception in case of failure. Example: "XXX:-a_huckel_ex"

H or +H

Add explicit Hydrogen atoms. Example: "XXX:H"

-H

Remove explicit Hydrogen atoms. Example: "XXX:-H"

Here, XXX can be any molecule or image format like mrv, mol, smiles, cxsmiles, abbrevgroup, cml, jpeg, png or svg, but aromatization options have no effect on formats which do not store bond orders like cube, pdb and xyz.