> But, when i am trying to import openbabel within the python, it shows the
> import error.
I would guess that you either have multiple versions of Python on your
computer, or at least multiple versions of the Open Babel bindings. Have you
installed previous versions of the OB bindings?
If so,
I think you'll need to write a script because you want more than just standard
alignment. Take a look at obfit.cpp or other alignment scripts and then you can
delete the atoms not in the match.
-Geoff
> My ultimate goal is to take molecule A, align it to molecule B and then
> "delete" all a
