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GRO Reader

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The GRO Reader node loads macromolecules and active-sites from GROMACS structure files (GRO).

Options

Settings

Input Filename
Paths to the input GRO-files.

Output Ports

Icon
Table containing the macromolecule-ligand complexe(s) read from the GRO files.

Installation

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

KNIME 4.3

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Developers

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