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
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Schrödinger
Version 20.1.4
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