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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)
- Remove Empty Rows (19 %) Streamable
- Substructure Search (19 %)
- Merge pharmacophore points (13 %)
- Pharmacophore from molecule (6 %)
- Extract pharmacophore points (6 %)
- Pharmacophore reader (6 %)
- Pharmacophore (6 %)
- Concatenate (6 %)
- Row Filter (6 %) Streamable
- Mol2 Reader (6 %)
- SDF Reader (6 %)
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Installation
To use this node in KNIME, install MolViewer nodes for KNIME from the following update site:
KNIME 4.1
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Developers
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