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Pharmacophores Viewer

Node to view pharmacophores in 3D

Each pharmacophore can optionally have a ligand and/or protein.

Source code available at Github .

Input Ports

: Table containing pharmacophores in PHAR format and optionally proteins and/or ligands in PDB, SDF or Mol2 format

Output Ports

: Data table containing the input data with an appended boolean column representing which rows were selected in the view.

Popular Predecessors

Popular Successors

Views

Interactive View: Molecule viewer: The KNIME pharmacophores with NGL.

Workflows

Developers

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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: Netherlands eScience Center

Plugin version: 2.0.3.v202311220951

On NodePit since: 2023-12-06

Last update: 2024-11-13

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

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