On 02/03/2012 17:47, Björn Grüning wrote: > Hi Jochen, > > maybe you can explain what you want to do with it. We are running such > Setup in our lab using postgresql and pgchem and it works very well. > > The fs file from openbabel is smaller than the sdf file and as far as i > know the fs file should be smaller than 2GB.
The datafile must also be less than 2GB (or maybe 4GB) because currently the fs file contains a 32bit offset to each molecule in the datafile. Splitting the fs file is a cumbersome way of getting round this and would require external scripting to combine the results. If the data set were converted to SMILES it would be much smaller, which would mitigate the problem. But I agree that using a database for similarity searches with very large datasets would be better. Chris > > Cioa, > Bjoern > >> Must it be smaller then 2 GB? >> >> If i do a concat on all i gain a file which is about 187 GB. >> >> Any idea? ------------------------------------------------------------------------------ Virtualization & Cloud Management Using Capacity Planning Cloud computing makes use of virtualization - but cloud computing also focuses on allowing computing to be delivered as a service. http://www.accelacomm.com/jaw/sfnl/114/51521223/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
