Hub
WorkflowWorkflow

Parameter flow variable use-cases

Labs MacroModel Phase LigPrep Prime
+2
Schrodinger - https://www.schrodinger.com profile image

Last edit:
Drag & drop
Like
Download workflow
Copy short link
Workflow preview
Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for the protein preparation, Shape Screening, MacroModel minimization, Molecule reader, and other nodes. [Requires (optionally): MacroModel, Phase, LigPrep, Prime] [Keywords: Parameter flow variables, Quick form] See also the following workflow examples: - Quantum Mechanical properties - ESP charges - Jaguar pKa

Used extensions & nodes

Created with KNIME Analytics Platform version 4.5.1 Note: Not all extensions may be displayed.
  • KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.0.1

    knime
  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.0.1

    knime
  • Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Versions 19.4.8, 20.1.4, 20.1.9, 20.2.32, 20.2.72, 21.1.120, 22.3.121

    Schrodinger - https://www.schrodinger.com profile image
    schroedinger
Loading deployments
Loading ad hoc executions
Discussion