Hi Jochen,
On Mar 3, 2012, at 2:59 AM, Jochen Schreiber wrote:
> My problem now is that babel only one file expected and i have the complete
> pubchem compound sdf files with over 2000 sdf files.
>
> If i concat all sdf files to one file it has over 187 GB and the index will
> be over 2GB.
You
Hi Jochen,
one possibility is to convert all sdf-files to one SMILES file, that
will be 1.9 GB. From that you can try to build a fs-index. Maybe split
the SMILES file create different fs-indices and combine the results
later.
I would go with a database solution -> pgchem for the win!
Ciao,
Bjoern
Hello Bjoern,
My usechase is to do a similarity search on local sdf files with babel and cdk.
My problem now is that babel only one file expected and i have the complete
pubchem compound sdf files with over 2000 sdf files.
If i concat all sdf files to one file it has over 187 GB and the index w
