Smart R-group

The Smart R-group tool can be used to draws R-group labels, creates R-group definitions, and open the R-group dialog window, where the labels can be changed.

Drawing R-group Labels

Select the Smart R-group tool.

Click on a clear place on the canvas, or on the right place in the molecule (sprout drawing is also possible).

In this case, the default setting is that the auto numbering is active, which means that R1, R2, and so on, groups will automatically appear in the place of the clicking in the right order.

images/download/attachments/1802968/Creating_R-group_Labels_1.png

By default, the tool puts the R1 label first, then automatically increases the number. The R-group count depends on the already finished R-group definitions. The default settings can be changed in the R-group dialog window.

Creating R-group Definitions

Selecting with the Smart R-group tool results that the R-group label will be given to the fragment (or fragments), which appears on the canvas.

When there is more than one R-group in the scaffold, the label of the fragment will get the smallest R-group number, which has not got a definition yet.

images/download/attachments/1802968/Selecting_with_Smart_R-group_Tool.png

Similarly to the case of the R-group labels, the default setting is that the tool puts the R1 label first, then automatically increases the number. The R-group count depends on the R-group labels in the scaffold molecule.

Changing the R-group Label Settings

Select the R-group tool, then left-click on the label you would like to change. In the R-group dialog window, you can change the R-group count and turn off the autonumbering.

images/download/attachments/1803158/R-group_Dialog_Auto.png

Changing the Label of the Definition

Select the R-group tool, then left-click on the definition-label you would like to change. In the R-group dialog window, you can change the label.

images/download/attachments/1803158/R-group_Dialog.png