Molegro Knime Extensions

Release information

Molegro KNIME Extensions version v2.0.0
Released December 1st, 2018.

Nodes

Open In MDM

Opens an input table in MDM for visualization and model building.

Requires MDM 6.5.0 or later.

Apply MDM Model

Applies a MDM model to a KNIME input table.

Requires MDM 6.5.0 or later.

Molecule Viewer

Opens molecules in MMV or MVD.

Requires MVD 6.5.0 or MMV 6.5.0.

Dock In MVD

Docks molecules in MVD.

Requires MVD6.5.0 or later.

Installation

Molegro KNIME Extensions can be installed using the KNIME Feature Installation System by adding ‘http://molexus.io/knime’ as an update site. This can be done using the  ‘Help | Install New Software…’ dialog.

The KNIME chemistry types must also be installed. These can be installed from the KNIME repository by selecting: KNIME & Extensions | KNIME Base Chemistry Types & Nodes.

For detailed installation and usage instructions, please see the Installation and Usage Guide.

Getting started

The fastest way to get started is by using the Molegro KNIME Extensions Quick Start Guide. This guide demonstrates how to set up sample workflows for Molegro Virtual Docker and Molegro Data Modeller.

Unable to access the Molexus website through KNIME?

Due to firewall restrictions it may not be possible to access the Molexus website through KNIME. In this case, the plugin must be installed manually, by downloading the plugin and copying it to the ‘dropins’ directory in the KNIME installation folder.

The latest version of the Molegro KNIME Extension plugin can be downloaded here:
http://molexus.io/knime/plugins/com.molegro_2.0.0.jar

Notice that by manually installing the plugin, it is not possible to automatically check for new updates.