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Parameter flow variables 1

Parameter flow variable use-cases

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

Parameter flow variable use-cases:Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for theprotein 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 The Parameter flow variables are flow variables with a namefollowing a specific format (node prefix-option name). They areused to control backend options that aren't exposed in the nodeconfiguration dialog.See node prefix and details in the node description correspondingsection. Usage messageLigands%file%See the Parameter flow variable optionin the commandreported in the console %file%-epik_metal_bindingusing a Parameter flow variable Get Help Table Viewer Molecule Reader(to MAE) LigPrep Molecule Writer(from MAE) Java Edit Variable Parameter flow variable use-cases:Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for theprotein 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 The Parameter flow variables are flow variables with a namefollowing a specific format (node prefix-option name). They areused to control backend options that aren't exposed in the nodeconfiguration dialog.See node prefix and details in the node description correspondingsection. Usage messageLigands%file%See the Parameter flow variable optionin the commandreported in the console %file%-epik_metal_bindingusing a Parameter flow variableGet Help Table Viewer Molecule Reader(to MAE) LigPrep Molecule Writer(from MAE) Java Edit Variable

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On NodePit since: 2020-08-12
Last update: 2024-11-18
Created with KNIME version: v4.1.0
Tags: LabsMacroModelPhaseLigPrepPrimeParameter flow variablesQuick form

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