The RandomAccessReader mentioned above is exactly such low level indexer -
it does not perceive chemistry when building the index.
Lochana may have issues if trying to load all these molecules in memory -
this is definitely not the way to go.
Nina
On 19 September 2013 03:07, Andrew Dalke
Hi Nina,
I did try the RandomAccessSDFReader. It took few minutes to build the index for
an SD file with 50,000 structures. What I am saying is what ever MarvinView
does to build index (if it is using an index) is much faster. I am wondering
how it does that.
I played a round a bit and came up with a crude solution as I mentioned in
my initial response.
index all occurrences of - takes 3-4 seconds for a file with
131'000 records
use separate thread to index to increase performance but current
implementation requires that index is fully built.
Joos,
You are right. I should use a local database instead of SD files...
Lochana
From: Joos Kiener j...@sunrise.ch
To: lochana menikarachchi locha...@yahoo.com
Cc: cdk-user@lists.sourceforge.net cdk-user@lists.sourceforge.net
Sent: Thursday, September 19,
4 matches
Mail list logo