28.01.2015 Views

KNIME User's Manual - ISP

KNIME User's Manual - ISP

KNIME User's Manual - ISP

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

Chapter 3: Schrödinger <strong>KNIME</strong> Extensions Tutorial<br />

Figure 3.6. The <strong>KNIME</strong> workbench with the new project.<br />

3.3 Adding a Smiles Reader<br />

The first node (or component) to add to the workflow is a SMILES reader.<br />

1. In the Node Repository, open up the Schrödinger category by clicking on the triangle on<br />

the left side.<br />

2. Open up the Readers/Writers category.<br />

3. Drag the Smiles Reader node into the workspace, and place it on the left.<br />

The node has a title, an icon that represents the node, a set of “traffic lights” that indicates<br />

the status of the node (status indicator), and a node number. The node description is displayed<br />

in the Node Description tab. The icon has a triangle on the right side. This is a<br />

point at which you can connect this node to another node, and represents the output of the<br />

node (the triangle is like an arrowhead pointing out from the node). If you pause the<br />

pointer over this triangle, it displays a brief description of the type of output, in a tooltip.<br />

The node is also added to the Outline tab. As you add nodes, they are added to this tab,<br />

which provides a view of the entire workflow.<br />

Schrödinger <strong>KNIME</strong> Extensions 1.2 User <strong>Manual</strong> 13

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!