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MAE-to-SD

Schrödinger extension for KNIME Workbench version 21.1.156.202102141445 by Schrödinger

Convert Maestro to SD format

Backend implementation

utilities/structconvert
structconvert is used to convert Maestro format into SD output

Options

Column containing input structures
Select column in the input table containing the structures
Output Column Structure
Choose the output columns:

Input plus Output - The input columns are included in the output.

Output replaces Input - The output columns are the same as the input, with the output structures replacing the input column selected

Output only - Only Output structures

Use V3000 format
Use V3000 format

Input Ports

Icon
Molecules in Maestro format

Output Ports

Icon
Molecules in SD format

Views

Stdout/err
Stdout/err

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

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

KNIME 4.3

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Developers

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