Re: [Open Babel] Index searching with explicit hydrogens

[Chris M. <c.m...@ga...>]

What I said yesterday about the proposed enhancement was not quite 
true when the pattern for a sub-structure search is in a file. When 
enabled with a -ah option, the filtering is by SMARTS which will have 
the explicit hydrogens in a form like [CH2] . This actually means a 
carbon with *exactly* two H, not with *at least* two H as would be 
needed if they were to be blocking. With the -s option you can write 
C([H])([H]), when the hydrogens are blocking.

Maybe the -xh output in smiles format would be more useful in this form?

Chris