Groups-Link nodes

Marvin JS does not differentiate between SRU, Repeating units, and Link nodes in display or creation.

However, there are restrictions to export a group as a Link node:

  • there should be one atom in the group

  • the repeating pattern shouldn't have been set (or it must be the default value)

  • the number of repetition should be a range starting with 1.

Create a Link node

with the Repeating Group tool

images/download/attachments/45330254/Repeating_3.png

  • Select the Repeating Group tool, then select the atom you would like to change to a link node with it.

  • Then the repeating group dialog opens. Leave the repetition pattern on the default value and set the repetition range from the value 1 to the number you would like, then click OK.

After the dialog closes, the link node is established.

with Selection

images/download/attachments/45330254/Repeating_4.png


  • Select the atom you would like to group with one of the Selection tools.

  • Click on the Repeating Group tool. 

  • Then the repeating group dialog opens. Leave the repetition pattern the default value and set the repetition range from the value 1 to the number you would like, then click OK.

After the dialog closes, the repetition unit has been established.

Modify a Link node

You can change a Link node to a Repeating unit or an SRU by changing the range, or the repeating pattern.

Changing the atom type in this case is not possible.

Delete a Link Node

Right-click on the atom in the brackets, then select Ungroup from the menu.

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