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number count of exported compounds wrong
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TobiasKind
Joined: 26 Jan 2005
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Post subject: number count of exported compounds wrong
Link to postPosted: Sat Oct 13, 2007 2:16 am  Reply with quote

Hi,
I just exported a SD file and the number of true SMILES exported
and the number shown is different. Actually it should show how many
records are processed and how many structures/records are correctly
exported.

Tobias

Instant JChem Version: 2.1 (build: 071002) JChem Version: 3.2.11 Marvin Version: 4.1.13 (build date: 2007-9-20) Java: 1.5.0_11; Java HotSpot(TM) Client VM 1.5.0_11-b03 System: Windows XP version 5.1 running on x86; Cp1252; en_US (instantjchem)



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tdudgeon
Joined: 05 Oct 2004
Posts: 538
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Post subject:
Link to postPosted: Sat Oct 13, 2007 9:21 am  Reply with quote

We will change the message.
Also note that you could use different format to avoid some of these errors. e.g. cxsmiles, or cxsmarts.

Tim
tdudgeon
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Post subject:
Link to postPosted: Wed Oct 24, 2007 10:56 am  Reply with quote

The statistics reporting is now changed in the 2.1.1 update that is now available from the Update Center.
Use Tools->Plugins to load the updates.

Tim
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