Chemical File Writer

Sink

Writes chemical structures to a file. A variety of different file formats are supported.

Input Ports

  1. Type: Data
    A data table with at least one string-compatible column. Please note that while not enforced this column should contain valid representation of a molecule, i.e. smiles, sd string, etc.

Output Ports

  1. Type: Data
    The input table is simply passed through. While the writer nodes are usually dead end, this is needed in order to enable the use of this node in loops where a synchronisation problems may arise otherwise.

Extension

This node is part of the extension

Erlwood Knime Open Source Cheminformatics

v4.0.0

Short Link

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