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MAE-to-Mol2

Schrödinger extension for KNIME Workbench version 20.3.139.202008121324 by Schrödinger

Convert Maestro to Mol2 format

Backend implementation

utilities/mol2convert
mol2convert is used to convert Maestro format into Mol2 output

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

Icon
Molecules in Maestro format

Output Ports

Icon
Molecules in Mol2 format

Views

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

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.2
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Developers

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