Bug in Combinatorial Reaction Enumeration (beta)

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Chris

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Feb 24, 2012, 11:09:23 AM2/24/12
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Hi,

I'm having an issue with the Combinatorial Reaction Enumeration (beta)
KNIME node. This node is only outputting a subset of the possible
reactions.

I have entered an RXN profile and SDF data for 3 alkenes and 3 amines
into the combinatorial reaction enumerator, and I only get 6 products
out, instead of the 9 that would be expected. The even-numbered
reaction rows are present in the output (Reaction0, Reaction2,
Reaction4, Reaction6 and Reaction8) but the odd numbered reaction rows
(Reaction1, Reaction3, Reaction5 and Reaction7) are missing! I would
be really grateful if this bug could be fixed, please.

Many thanks in advance,

Chris

p.s. Sorry for cross-posting this bug here and in the KNIME forum. I'm
not sure whether this is the right place to talk about this issue, and
I apologise if it isn't...

Chris

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Feb 28, 2012, 4:36:58 AM2/28/12
to indigo-bugs
This issue has been fixed in the latest nightly build
(com.ggasoftware.indigo.knime.plugin_1.1.0.201202272004).

Many thanks!
Chris
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