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Tautomerizer

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

Generates probable tautomeric states.

Backend implementation

utilities/tautomerizer
tautomerizer is used to process the Maestro input and generate the Maestro output.

Options

Column containing structure: Select column in the data input table containing the structures
Maximum number of atoms
Maximum number of tautomers produced
Ensure that the input structure is retained in the output

Input Ports

: Input data table containing Molecules in Maestro format

Output Ports

: Molecules in Maestro format

Views

Std output/error of Tautomerizer: Std output/error of Tautomerizer

Workflows

No workflows found

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

Tags: Deprecated

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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