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Set Molecule Title

Schrödinger extension for KNIME Workbench version 19.3.13.201908262231 by Schrödinger

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.

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.0
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