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):
- List, Download & Write Files to Authenticated File Share (3 nodes)
- Multi molecule Sketcher
- Molecule Difference checker
- Plane of Best Fit
- XLS Coloured Writer
- 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
- Reaction Generation (3 nodes): These nodes are now supported by Sheffield University and have been substantially improved
- 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.