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Chemical Space Merger

Multiple chemical spaces will be merged into a single chemical space.

Options

Chemical space paths column: Name of the column with a path to each chemical space file.
Root output directory: Specify an existing directory, where a space file will be created for the merged chemical space.

Input Ports

: Paths to chemical spaces with file extension .space.

Output Ports

: Path to merged chemical space. This output table might serve as input for another subsequent merge step.

The space path is also exported as the flow variable "mergedSpacePath".

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Installation

To use this node in KNIME, install the extension BioSolveIT CoLibri (Chemistry Spaces) from the below update site following our NodePit Product and Node Installation Guide:

v5.2

Plugin provider: BioSolveIT GmbH

Plugin version: 2.29.3.202309291626

On NodePit since: 2023-12-06

Last update: 2024-12-25

KNIME versions: From v3.6 to v5.2

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