Erlwood nodes: New Release Jan 2015

#1


We're pleased to say that the Erlwood nodes have been updated. This is a long overdue release that includes multiple new nodes, utility code for developers, several node deprecations and a refactored code base. 

A presentation prepared for the 2014 KNIME UGM described these changes in some depth (see here):

New Nodes:

  • List, Download & Write Files to Authenticated File Share (3 nodes)
  • Multi molecule Sketcher
  • Molecule Difference checker
  • Plane of Best Fit
  • XLS Coloured Writer

Enhanced:

  • 2D/3D scatterplot (multiple enhancements)
  • Automated Matched Pairs and Free Wilson Matched Pairs (multiple bug fixes and enhancements)
  • Desirability and Pareto Ranking (bug fixes)
  • All nodes with molecule input have been enhance to use the new Erlwood molecule conversion framework that auto converts many input chemical file formats
  • Chemaxon dependencies are now handled using reflection and should be more stable on upgrades

Branched:

  • Reaction Generation (3 nodes): These nodes are now supported by Sheffield University and have been substantially improved

Deprecated Nodes:

  • Docking Job Lister, Viewer and Submitter (3 nodes)
  • Text input (Please use 'Table Creator' or Quickform 'String Input' nodes)
  • Multi-objective loop Start / End (2 nodes)
  • MCS Distance and Matrix (2 nodes, deprecated due to license changes)
  • JMol Viewer and JMol Docking Pose Viewer (2 nodes)
  • Vida Viewer

For developers, we have also included a framework for simplification of chemical structure conversion which we hope to discuss at the 2015 developers meeting at the KNIME UGM. 

Currently all nodes have been substantially refactored into a single feature.  Nodes and associated utility code for authentication may be moved to a separate project or feature at a later date if necessary.

Bugs, feature requests and feedback welcome.

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#2

There are some real gems in this release James, thanks for this significant contribution back to the community.

Cheers!

 

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#3

How do I install the Elwood nodes on Ver 2.12 (32 bit)

Thank you

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#4

Hello,
I’m trying to use the ‘Plane of Best Fit’ calculator node in the Erlwood cheminformatics collection (3.3.0v201701271222) in KNIME 3.6.1.
When I try to configure the node I get this error:
“ERROR Plane of Best Fit Calculator 0:28 Error while creating node dialog for ‘Plane of Best Fit Calculator’: javax.swing.CellRendererPane cannot be cast to javax.swing.JComponent”.
Any thoughts on what the problem might be?
Thanks and regards,
Tim Ritchie.

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#5

Hello,
I’m digging up this old post because I had the same error with the ‘Plane of Best Fit’ calculator node in the Erlwood cheminformatics (4.0.0.v201912061111) with Knime 4.02.

Does anybody have an idea how to solve this issue?

Thanks.

Hugues

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#6

My plane of best fit node is also completely non-functional…the dialog does not appear when trying to configure. KNIME 4.0.0

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