Create Group

This action contracts user defined structural elements into abbreviated groups. "Create group" standardization process consists of three steps:

• substructure match;

• group, and;

• contract group.

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.

Example :

Action	Input	Output
Create Group (creategroup)	create group input	create group output