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Interaction Types Retriever

KNIME node to retrieve the different interaction types that are encoded for each pocket residue in the interaction fingerprint. This node retrieves the different interaction types for each bit position of the interaction fingerprint (IFP) method and can, for example, be used in combination with the Interaction Fingerprint Decomposer to identify what kinase-ligand interactions are present in specific structures.

Options

Advanced Options

Base path: Url to use as base path for KLIFS webservice
Timeout: Timeout in seconds to wait for KLIFS webservice response

Input Ports

This node has no input ports

Output Ports

: Description of the different interactions types represented by the IFP bit positions. 7 bits are encoded for each binding pocket residue.

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Installation

To use this node in KNIME, install the extension 3D-e-Chem KNIME nodes 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: 3D-e-Chem

Plugin version: 1.1.3.v202311211357

On NodePit since: 2023-12-06

Last update: 2024-12-18

KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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