ChemSketch: Creating and using custom structure templates

Description
If the structure of a large chemical compound is required several times, it makes sense to create a User Template so that it can be accessed with just one click.

Solution

1. Draw the  structure you want to reuse as a template.
2. Being in Structure mode (), select the structure by clicking next to it or using the Lasso tool.
3. Click on the User Templates button () on the right-hand toolbar. You will be redirected to the Add/Edit User Templates window.
   
    

You can see that the matching chemical formula has been automatically assigned to the structure. The Label of the structure is preset to Tmp0. You can easily rename it by entering a different name in the label field. In this example it is named “VcMMAE”. The Icon field next to the label field shows a preview of how the user template icon will appear in the toolbar. The six-letter label is selected. Alternatively, a representation of the compound or a user-created image can be used.

The chemical structure of the compound is shown in the window below the formula. The pink square around the CH₃-group, which is marked in red, indicates, where the attachment point for the template will be generated. You can easily change the attachment point by clicking on another atom of the structure, which is then highlighted in red and outlined with a pink square.

Once you have selected the desired attachment point click OK.  You will now find the icon for the template in the right-hand toolbar.

4.  To use the new template:

• Once the user template has been created, you can insert the template by clicking on the new Template Icon (). Two cubes next to the mouse cursor indicate that you have selected the template. A preview of the structure as skeletal formula will appear next to the mouse cursor. Click again on the position where you want to place your template

Note: Instead of using the Template Icon () you can also click on the Edit Atom Label Icon () which is located at the bottom of the left-hand toolbar. Then click on the atom of the compound you want to attach the template. The Edit Label Window opens. You can now select your label. By next clicking Insert the label name (VcMMAE) will be attached. By clicking Expand, the entire structure is inserted. You can also expand the structure at a later stage by using the Edit Atom Label Icon (), clicking on the VcMMAE label and clicking Expand.