Groups-Repetition Units

Create a Repetition Unit or SRU Polymer

When the repetition pattern is set to (ht) or eu and a single integer is specified as the repetition range, S-groups can be displayed as contracted multiple S-groups in the generated molecule source. The corresponding integrator setting must be used.

With the S-group Tool

  1. Select the S-group tool, then select the structure you would like to group.

  2. The S-group Dialog opens. Select the repetition pattern and specify the repetition range, then click OK.

  3. After the dialog closes, the repetition unit is established.

images/download/attachments/1803039/Creating_Repetition_Unit_or_an_SRU_Polymer_1.png

With Selection

  1. Select the structure you would like to group with one of the Selection Tools, then click the S-group tool.

  2. The S-group Dialog opens. Select the repetition pattern and the repetition range you would like, then click OK.

  3. After the dialog closes, the repetition unit is established.

images/download/attachments/1803039/Creating_Repetition_Unit_or_an_SRU_Polymer_2.png

A structure is exported as a Link node when one atom has been selected and the repetition patter is the default value (ht) and the repetition count rage starts at 1.

Modifying a Repeating Unit

You can change the range and the pattern of the repetition by opening the S-group Dialog.

images/download/attachments/1803039/Modifying_a_Repeating_Unit.png

With the active S-group tool hover over the group on the canvas with the mouse cursor. When the elements of the group are highlighted in gray, left-click within the brackets.

In the opening S-group dialog, you can change the current values.

Deleting a Repeating Unit

Right-click on the structure within the brackets, then select Ungroup from the menu.

When you modify the atoms or bonds in the group, it will automatically ungroup.