Molecule Structure Sketcher

This component integrates the Molecule Widget for the general purpose to sketch a molecule or query structure.
Molecular structures can be output in the following format:
- SMILES
- SMARTS
- Mol
- InChI
- RXN
- Extended SMILES
- Mol V3000
- RXN V3000
The row and column header can be set from the configuration dialog. Also, the information to display as interactive view or WebPortal page can be tuned from the configuration dialog.

Options

Molecular format

Please, set the molecular format to use.

Define text for WebPortal page.

This text will be inserted in the body. Usually you should provide a simple intro to the page. Copy and paste in this field any text.

Define title for WebPortal page

Title to be displayed in the body.

Molecule structure variable name

Please, enter the name that the molecule structure will haveas column and row headers.

Nodes

• String Configuration3 ×
• CSS Editor1 ×
• Component Input1 ×
• Component Output1 ×
• Merge Variables1 ×
• Molecule Type Cast1 ×
• Molecule Widget (Labs)1 ×
• Row Filter1 ×
• Rule Engine Variable1 ×
• Single Selection Configuration1 ×
• String Manipulation1 ×
• String Manipulation (Variable)1 ×
• Text Output Widget1 ×
• Variable to Table Row1 ×

Extensions

• FeatureKNIME Base Chemistry Types & Nodes
• FeatureKNIME Base nodes
• FeatureKNIME JavaScript Views
• FeatureKNIME Javasnippet
• FeatureKNIME Quick Forms
• Show all 6 modules

Links

• No links available