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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