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Stereoizer

Schrödinger extension for KNIME Workbench version 21.2.117.202105180045 by Schrödinger

Labels stereochemical features or generates structures based upon the chiral properties of the chiral atoms in the structure.

Backend implementation

$SCHRODINGER/utilities/stereoizer
stereoizer 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
Assigning chiralities ignoring geometry
Assigning chiralities using geometry where possible
Generate up to this many stereoisomers
Ensure that the input chiral properties are present in at least one output structure

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 Stereoizer
Std output/error of Stereoizer

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