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Lochana
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*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, 2013 9:37 AM
*Subject:* Re: [Cdk-user] Reading large SD Files
I
*Subject:* Re: [Cdk-user] Reading large SD Files
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
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
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.
, 2013 9:37 AM
Subject: Re: [Cdk-user] Reading large SD Files
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
Hi Lochana,
I think you sure will need Multi-threading to keep the UI responsive and
also some form of cache, meaning if you display 10 compounds in the
viewport of the table, keep a lot more in memory, maybe 100 both up or
down and when the user scrolls, adjust the cache accordingly but the
On Sep 18, 2013, at 7:46 PM, lochana menikarachchi wrote:
I need to quickly load 5-10 molecules to a jTable from a large SD file(say 1
million structures). ... MarvinView can load 5-10 structures from extremely
large files in few seconds. I wonder how marvin does this?? Any suggestions
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