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Proteax inchi_key

The InChI key of the supplied protein entry or molecule. If the input is a protein entry, the corresponding full structure will be built and the InChI key calculated for that structure.

Options

Protein text or molfile: Protein entry in UniProt, PLN, GPMAW, FASTA, or MDL molfile format.
Result column name: Name of appended column with result.
Add error column: Adds a column with any error messages. The error column is always named like the output column plus " - error". If the error column is not added, all errors will be logged to the KNIME console instead.

Input Ports

: Table with at least one column that has a protein entry or molfile.

Output Ports

: Table with an appended column containing the calculated result.

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Installation

To use this node in KNIME, install the extension Biochemfusion Proteax KNIME node extension from the below update site following our NodePit Product and Node Installation Guide:

v5.2

Plugin provider: Biochemfusion ApS

Plugin version: 2.0.0.20130511

On NodePit since: 2023-12-06

Last update: 2024-11-20

KNIME versions: From v3.6 to v5.2

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