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 sho
Hi Jochen,
we are running such setup in our lab with postgresql and pgchem. Maybe
you can explain your usecase a little bit better. I don't think the
fs-index from openbabel is the way to go for such huge datasets.
As Chris mentioned the index should be smaller than 2GB. You will exceed
these. Yo
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.
Cioa,
Bjoern
> Must it be s
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?
With best
Jochen Schreiber
--
Virtualization & Cloud Management Using Capacity Planning
Cloud computing makes use of
On 02/03/2012 15:23, Jochen Schreiber wrote:
> Hello everybody,
>
> i have the completed pubchem compound sdf file on my file system an want to
> to a smiliarity search on them.
>
> Can i execute babel with more then one input fs file or how is the way to do
> the search?
Put all the molecules i
Hello everybody,
i have the completed pubchem compound sdf file on my file system an want to to
a smiliarity search on them.
Can i execute babel with more then one input fs file or how is the way to do
the search?
With best
Jochen Schreiber
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