Molegro KNIME Extensions Repository

molegro Molegro KNIME Extensions version v1.0.4
Released February 15th, 2011.

Available Nodes

Open In MDM
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 Opens an input table in MDM for visualization and model building.
Requires MDM 2.6.0 or later.
Apply MDM Model
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Applies a MDM model to a KNIME input table.
Requires MDM 2.6.0 or later.
Molecule Viewer
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Opens molecules in MMV or MVD.
Requires MVD 4.3.0 or MMV 2.2.1.
Dock In MVD
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Docks molecules in MVD.
Requires MVD 4.3.0 or later.

Installation

Molegro KNIME Extensions can be installed using the KNIME Feature Installation System by adding 'http://molegro.com/knime' as an update site. This can be done using the 'Help | Software Updates...' (KNIME 2.2) or 'Help | Install New Software...' (KNIME 2.3) 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.

PDF ManualFor detailed installation and usage instructions, please see the Installation and Usage Guide (PDF, 215KB).

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.

PDF ManualThe Molegro KNIME Extensions Quick Start Guide (PDF, 634KB).

Unable to access the Molegro website through KNIME?

Due to firewall restrictions it may not be possible to access the Molegro website through KNIME. Older versions of KNIME on Mac (Version 2.2 and earlier) are also not able to perform web installations.

In this case, the plugin must be installed manually, by downloading the plugin and copying it to the 'dropins' (Windows/Linux) or 'plugins' (Mac) directory in the KNIME installation folder.

The latest version of the Molegro KNIME Extension plugin can be downloaded here:
http://molegro.com/knime/plugins/

(Download the file named: com.molegro_1.x.x.jar, where '1.x.x' is the version number)

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