MAE-to-Mol2

Convert Maestro to Mol2 format

Backend implementation
$SCHRODINGER/utilities/structconvert

Options

Include Input: Includes all input columns in the output
Replace Column: All of the input columns are included in the output except the newly computed Smiles column replaces the Maestro column that was converted. If this option is checked, then the "Include Input" option is also checked and disabled.

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To use this node in KNIME, install the extension Schrödinger Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:

v5.2

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Plugin provider: Schrödinger

Plugin version: 24.1.135.v202402072122

On NodePit since: 2023-12-06

Last update: 2024-04-19

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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