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
Workflow
Parameter flow variable use-cases
Used extensions & nodes
Created with KNIME Analytics Platform version 4.5.1
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Schrödinger Extensions for KNIME
Schrödinger
Versions 19.4.8, 20.1.4, 20.1.9, 20.2.32, 20.2.72, 21.1.120, 22.3.121
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