We are pleased to announce Schrödinger software release 2020-4, which is available for download now: 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:
• KNIME in LiveDesign
- System specific files and workflow parameters can be changed on the LiveDesign admin page
- Preferences for faster configuration of the Upload as LiveDesign model node
- Surfaces rendering can be controlled and the models deployed to a specific LiveDesign project
- Use nodes from extensions not included in the default installation
• The Prime Build Homology Model node accepts any Parameter flow variable
• New Job Monitor node
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:
• Alignment on a cocrystallized ligand
• Get PDB and protein preparation
• Binding pose strain. Docking and ligand strain
• Related PDB structures
• Docking and protein surface – with surface coloring
• Models adapted to take system specific files from the Admin panel: Random forest, Ligand alignment, Pharmacophore screening and Docking models.
Sincerely,
Jean-Christophe Mozziconacci
KNIME extension Product Manager at Schrödinger