Schrödinger software release 2021-1

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 https://hub.knime.com/schroedinger/spaces/Workflow_examples/latest and https://hub.knime.com/schroedinger/spaces/LiveDesign_models/latest:
• 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

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