CCDC Load MOL files

This component is a simple utility that reads in all files with the extension '.mol' found in the specified directory. These are assumed to be MOL-format molfiles that contain a single structure each.

The component is intended mainly to be used to load one or more query structures to be passed to a CCDC CSD Substructure- or Similarity Search component.

Options

Directory containing query molfiles
A directory containing one or more molfiles in MOL format.%%00010%%00010%%00010

Input Ports

This node has no input ports

Output Ports

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The output table will contain the uploaded structures in the column 'Query'. Names will be extracted from the molfiles and output in the column 'Query names'.

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To use this component in KNIME, download it from the below URL and open it in KNIME:

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On NodePit since: 2020-08-27
Last update: 2024-04-18
Created with KNIME version: v4.1.3

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