2.1.1. Groups view
Fragment groups are an important tool for library generation and help to organize the ilib diverse user-adaptable fragment set. Groups are easily adjustable by the user.
Creating a new group
You may add new groups to a fragment set by clicking on the
icon. You will then be prompted for
a name for the newly created group.
Alternatively, you may use the create new group command from the groups menu.
Deleting a group
If you wish to delete the currently selected fragment group click on the
icon. You will
need to confirm this action so as not to delete any groups by mistake.
Alternatively, you may use the delete selected group and all contained fragments command from the groups menu.
Selecting/deselecting all groups
By clicking on the icons
or
you may select or deselect all fragment groups.
Alternatively, use the use all groups and do not use any
group commands in the
groups menu.
Selecting/deselecting single groups
Select/deselect groups by clicking on the checkbox of each group in the groups view.
Adjusting the occurrence of fragments of selected groups in generated molecules
Use the icons
and
to control the frequency of
occurrence of fragments from selected groups in the molecules to be generated.
By clicking on
, at least one fragment from
the currently selected group will be used for library molecule generation. Alternatively,
you may use the use at least one fragment of the selected group command from the
groups menu.
Clicking on
will result in integrating at
most one fragment from the selected group in molecule generation. Alternatively, use
the use at most one fragment of the selected group command from the
groups menu.
If "use at least once" and "use at most once" are both selected
( and
are activated),
ilib diverse assures that the specific fragment occurs exactly once in
each library molecule.
Renaming a fragment
Use the rename selected item command from the edit menu to rename the current fragment. Alternatively, double-click on the item to be renamed or press F2 after selection.