The component can be used to visualize molecular data using the JavaScript library 3Dmol.js (https://3dmol.csb.pitt.edu/index.html).
The required input data types are either PDB, SDF or Molfile.
The view provides the following options for the user to select:
- atom styles (e.g. Stick, Line, Cross, Sphere and for PDB data types also Cartoon)
- show heteroatoms for PDB data and select heteroatom style (Stick, Line, Cross and Sphere)
If the component is used alone, simple paging through the rows of the input table is possible by unchecking the "subscribe to selection" box. If combined in a component with another KNIME JavaScript View, e.g. the Table View, the 3D Molecule Viewer component will visualize selected rows from the Table View if the "subscribe to selection" box is checked.
IMPORTANT: If executed the first time, the component needs to access the internet to load the required JavaScript library 3Dmol.js. The library will be cached in the data area of the workflow for following executions.
- Type: Tabledatadata table containing PDB, SDF or Molfile column types