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

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Input data table containing Molecules in Maestro format

Output Ports

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Molecules in Maestro format

Views

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

Workflows

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Links

Developers

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