Basic Export Options
| a, +a, +a_gen |
General aromatization. Example: "XXX:a" |
| a_bas
|
Basic aromatization.
Example: "XXX:a_bas" |
| -a |
Dearomatize. Example: "XXX:-a" |
| 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.
