superstructure search H matching

Hi

Is there a way to configure superstructure search so that cyclohexane as query would not match ethane?

I've tried various options in jcsearch e.g.

jcsearch -q "[CH2]1[CH2][CH2][CH2][CH2][CH2]1" -s "CC" -t:u implicitHMatching:Y

but can't stop the match.

Ultimately I'd be programming this through the API.

I could do this the other way around as a substructure search

jcsearch -q "[CH3][CH3]" -s "C1CCCCC1"

doesn't match

but it is more natural/efficient in the code to use the superstructure search.

Thanks

Hi,

You have to restrict the target (which will be the query in superstructure search) with specifying explicit Hydrogens on it, in this form "[H]C([H])([H])C([H])([H])[H]".
So, using your example:

jcsearch -q "C1CCCCC1" "[H]C([H])([H])C([H])([H])[H]" -t:u

Best Regards,
Gabor