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Atom Selector

Erlwood Knime Open Source Cheminformatics version 4.0.0.v201906261333 by Erlwood

Allows to edit existing molecules and to select atoms.

Options

Molecule column
Input column containing the molecule
Name of the new column
Name of the output column having the molecule with selected atoms.
Output
Replace or add a new column
Reset previous modifications
Reset previous selections.

Input Ports

Input table with Molecule column

Output Ports

Output table with Molecule column with selection

Best Friends (Incoming)

Installation

To use this node in KNIME, install Erlwood Knime Open Source Cheminformatics from the following update site:

KNIME 4.0
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