This node is currently not available in KNIME v5.4 — instead we’re showing this page for KNIME v5.2. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.

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.

Popular Predecessors

Popular Successors

Views

This node has no views

Workflows

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.

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: 2024-12-18

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

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!