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Pharmacophores Viewer

DeprecatedMolViewer Nodes version 2.0.2.v201911071546 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

Best Friends (Incoming)

Installation

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

KNIME 4.3

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Developers

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