Basic export options
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, +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.