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Set Molecule Title

Sets the title for a molecule from a selected column. If there is more than one molecule column, then the molecule column also needs to be selected.

Options

Column containing input: Select target molecule column in the data input table to set the title
Molecule title column: Select column in the data input table containing the titles to set for the target molecule

Input Ports

: The input needs at least one molecule (SD, MOL2, or Maestro format) and at least one String column that is the molecule title that is set.

Output Ports

: The output is the same as the input except the molecule has its title set to the input column selected.

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Installation

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

v5.2

A zipped version of the software site can be downloaded here.

Plugin provider: Schrödinger

Plugin version: 24.3.138.v202407300410

On NodePit since: 2023-12-06

Last update: 2024-11-20

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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