Hi Egon,
I tested the functionality using several KNIME workflows. The nodes
function within the limits of their underlying CDK classes and handle
errors without breaking the workflow.
Once 1.4.2 is released, I will update the version. Additional atom types
would be great!
Stephan
On 19/08/11 19:18, Egon Willighagen wrote:
Hi Thorsten, Stephan,
On Fri, Aug 19, 2011 at 2:11 PM, Thorsten Meinl
<[email protected]> wrote:
Thanks to Stephan Beisken from EBI we now have a working plugin for
KNIME that uses the recent 1.3 version of CDK.
Congratulations with that achievement. Migration is not easy; did you
use a KNIME-oriented test suite to ensure functionality did not
change?
BTW, are you using 1.3.x version instead of the 1.4.x stable release
from that series? Updating that should not require any changes, but
does come with a number of fixes as well as many new atom types (as
will 1.4.2 too, which I'll try to release next week).
Egon
--
*Stephan Beisken*
Predoctoral Student - Steinbeck Group
European Bioinformatics Institute (EBI)
Wellcome Trust Genome Campus
Hinxton, Cambridge CB10 1SD, UK
Phone +44 1223 49 2633
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