Hi,
I have recently downloaded OpenBabel in order to calculate partial charges
> of molecules. I have successfully calculated the mmff94 force field for one
> ".mol2" molecule. When I calculate the force filed more than one molecule,
> I
> get all the result in a single file. I have tried to tick the option
> "Output
> disconnected fragments separately", but that did not help. Is there a way I
> can output each molecule in a separate file?
>
>
What about splitting your input multi-mol2 file? See option -m.
And then e.g. a little shell script to automatize the computation for each
.mol2.
Regards,
Pascal
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