KNIME User's Manual - ISP

Chapter 3: Schrödinger KNIME Extensions Tutorial
Figure 3.7. The KNIME workbench with the Smiles Reader node, before configuration.
The node initially shows a “red light” because it cannot be run as is, simply because it has
not been configured yet. There is also a warning icon: an exclamation point in a yellow
triangle above the traffic lights. If you pause the pointer over the exclamation point, you
will see that this is a warning message, which tells you that the node needs to be set up.
You might also see a warning message in the Console tab, and also in the terminal window
from which you started KNIME. To configure this node, you need to specify the file
it should read.
4. Right click on the Smiles Reader node (anywhere) and choose Configure from the shortcut
menu.
The configuration dialog box for the Smiles Reader node opens.
5. Click Add File(s).
A file dialog box opens that allows you to select a file.
6. Navigate to and select the file $SCHRODINGER/macromodel-vversion/ligprep/
samples/examples/1D_smiles.smi, then click Open.
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Schrödinger KNIME Extensions 1.2 User Manual