Hi,
I try to use the openbabel software to carry out similarity search
> and substructure search for more than one large database which the total
> molecules are larger than 10,000,000. Firstly, the different fs
> files are created using openbabel due to the size limitation of sdf files .
>
Why not smiles file(s)?
> Secondly, I use the *.fs in the command line to try to search different
> database (babel *.fs results.sdf -s reference.sdf -at 0.5). But
> it failed. Would you like to give me some help to apply openbabel to deal
> with similarity search for more than one large database.
>
Try obabel instead of babel, try with full file names, try with a fs file
generated from a 10 compounds file.
Does it work?
Regards,
Pascal
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