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Parameter flow variable use-cases

Labs MacroModel Phase LigPrep Prime
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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.
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    KNIME Core Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.0.1

    knime
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    KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.0.1

    knime
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    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
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