On 16/12/2011 08:00, Jochen Schreiber wrote:
> Hello guys,
>
> i think i have a problem with my syntax.
>
> I have an sdf-File then i make an mol-File with: babel input.sdf -omol
> query.mol
>
> and then i want to search with the query-File against one fs-File:
>
> babel Compound_1_250
Hello guys,
i think i have a problem with my syntax.
I have an sdf-File then i make an mol-File with: babel input.sdf -omol query.mol
and then i want to search with the query-File against one fs-File:
babel Compound_1_25000.fs babelresult.sdf -sbabelsearch.mol -at0.85
But i became
