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PDB Reader

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The PDB Reader node loads molecules from Protein Data Bank files (PDB), macromolecule Cryptographic Information Format (mmCIF), Macromolecular Transmission Format (mmTF) files or directly via the four-letter code (PDB ID) from RCSB for subsequent processing.

Options

Settings

Input Filename
An arbitrary amount of paths to .pdb, .list, .cif or mmtf files. The .list files have to contain one PDB file path per row. Additional to these input formats, one can also simply enter the four-letter code (PDB ID) to download the corresponding macromolecule structure (An internet connection is required).

Output Ports

Icon
Table containing the macromolecule-ligand complexe(s) read from the PDB/CIF or mmTF files.

Best Friends (Incoming)

Best Friends (Outgoing)

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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