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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.

Input Ports

: Molecules in Maestro format

Output Ports

: Molecules in Mol2 format

Views

Console output of MAE-to-Mol2: Console output of MAE-to-Mol2

Workflows

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Developers

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Installation

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

A zipped version of the software site can be downloaded here.

Plugin provider: Schrödinger

Plugin version: 24.3.138.v202407300410

On NodePit since: 2023-12-06

Last update: 2024-11-20

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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