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01_​Chemistry external tool

Free nodes - Chemistry External Tool Node Use-cases:

The Chemistry external tool nodes can be used to parse a log file with basic shell commands or run any command line utilities. Quick form nodes can be used to create a configuration panel for this node.

[Requires: - On Windows, you need to point to a Maestro installation in the Preferences]

Free nodes - Chemistry External Tool Node Use-cases: The Chemistry external tool nodes can be used to parse a log file with basic shell commands or run any command line utilities. Quickform nodes can be used to create a configuration panel for this node.[Requires: - On Windows, you need to point to a Maestro installation in the Preferences]2D conversionYou could also use the Generate 2D coordinates option of the Molecule to MAE node Run any shell commandseg sedAltered smiles stringsOpen Office or Excelset the path in the PreferencesChemistryExternal Tool Molecule Reader(to MAE) Table Reader ChemistryExternal Tool Table Viewer Run SpreadsheetViewer SDF Writer Free nodes - Chemistry External Tool Node Use-cases: The Chemistry external tool nodes can be used to parse a log file with basic shell commands or run any command line utilities. Quickform nodes can be used to create a configuration panel for this node.[Requires: - On Windows, you need to point to a Maestro installation in the Preferences]2D conversionYou could also use the Generate 2D coordinates option of the Molecule to MAE node Run any shell commandseg sedAltered smiles stringsOpen Office or Excelset the path in the PreferencesChemistryExternal Tool Molecule Reader(to MAE) Table Reader ChemistryExternal Tool Table Viewer Run SpreadsheetViewer SDF Writer

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: jcmozzic
Created at: 2015-04-15
On NodePit since: 2020-02-06
Last update: 2020-02-26
Created with KNIME version: v4.0.1
Tags: NodesMaestro

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