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 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 mol, sdf, rdf, rgf, rxn, csmol, cssdf, csrdf, csrgf, csrxn, smiles, cxsmiles, abbrevgroup, mrv, cml, jpeg, png, ppm or svg, but aromatization options have no effect on formats which do not store bond orders like cube, pdb and xyz.

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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"