The Schrödinger software version 2021-1 has been released recently and is available for download: https://www.schrodinger.com/downloads/releases. You can learn more about the KNIME extension new features from https://www.schrodinger.com/knimeworkflows/KNIME_newfeatures.pdf. Here are the major enhancements in this quarterly release:
• Supports the latest version of KNIME (v4.3, but includes v4.1.3)
• Include the biological unit and set the source in the Get PDB node
• The Jaguar minimization node runs on multiple CPUs
• KNIME in LiveDesign
- Free file name choice in the Extra file fields and other usability improvements in the 2 generic protocols
- The model the description is updated from the workflow when deployed and the models can be sorted by modification date on the admin page
- New LiveDesign model and protocol administration nodes, running the script LiveDesign_admin.py
The corresponding workflow examples and KNIME LiveDesign models are available on schroedinger/Workflow_examples – KNIME Community Hub and schroedinger/LiveDesign_models – KNIME Community Hub
• LiveDesign administration
• Cheminformatics - AutoQSAR: with model renaming
• KNIME LiveDesign models
- Structure alignment - Ligand alignment with a cocrystallized reference
- and a couple of other models were improved
Sincerely,
Jean-Christophe Mozziconacci
KNIME extension Product Manager at Schrödinger