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Pharmacophores Viewer

MolViewer Nodes version 1.0.2 by Netherlands eScience Center

Node to view pharmacophores in a web browser

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

When view is opened then it will automatically open a web browser with the viewer.

Source code available at Github.

Options

Column with pharmacophores
Column with PHAR formatted pharmacophores.
Column with labels (*)
Column with labels, if no column is selected uses Row ID.
Column with ligand molecules (*)
Column with SDF or Mol2 formatted molecules, if no column is selected no ligands will be shown.
Column with protein molecules (*)
Column with PDB or Mol2 formatted molecules, if the pdb contain protein/ligand complex then the protein and ligand are shown, if no column is selected no proteins will be shown.
Column with transformation matrix (*)
Column with transformation matrix. Will apply transformation matrix to content of pharmacophore/protein/ligand columns of the same row.

Input Ports

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

Views

Web browser launcher
Display web browser launcher

Best Friends (Incoming)

Installation

To use this node in KNIME, install MolViewer Nodes from the following update site:

KNIME 4.0
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