This action contracts user defined structural elements into abbreviated groups. "Create group" standardization process consists of three steps:
Substructure match will not search inside existing S-groups, and no clean action is applied on output molecules.
The user defined structural elements have to be set on the options panel of the action.
You can import Marvin's default abbreviated group list when you click on button : amino acids are listed in front of the other abbreviated groups. Both amino acids and the remaining groups are in alphabetical order.
You can set your own list when you define an abbreviation and its structure in the appropriate fields. Read about how to create groups in MarvinSketch here.
You can reorder the list by using the up or down arrow on the right. Note : Action considers the order of set groups during standardization.
You can remove elements from the imported/created list if you hit button .
If you do not define any groups in the option panel, default abbreviation groups will be used.
|Create Group (
||create group input||create group output|