The save current fragments and settings as default command enables you to set your currently selected fragment set and property settings as default values. ilib diverse will load these settings at startup.

Restore factory default fragments and settings

The restore factory default fragments and settings command allows you to reset your ilib diverse fragments and settings to the factory values.

Import > fragment set and flasks

The import > fragment set and flasks option enables you to import your stored fragments, fragment groups and flasks.

Import > filter and process settings

The import > filter and process settings option allows you to load your saved filter sets and process properties.

Export > fragment set and flasks

The export > fragment set and flasks option enables you to export your designed fragments, fragment groups and flasks. Select your favourite directory and file name in the export dialogue.

Export > filter and process settings

The export > filter and process settings option allows you to store your created filter sets and process properties. Select your favourite directory and file name in the export dialogue.

Exit

Use the exit command to close the currently running ilib diverse session. Be sure to save the modifications to your fragments, fragment groups and flasks before quitting.

Edit menu

Delete selected fragment

The delete fragment command allows you to erase the selected fragment(s) from your fragment set.

Delete item from selected flask

The delete item from selected flask command allows you to remove selected items from flasks.

Rename selected item

The rename selected item command enables you to rename groups and fragments of the fragment set.

Copy, cut and paste fragment

The copy (STRG+c), cut(STRG+x) and paste(STRG+v) fragment commands allow you to easily manage and organize the items of your fragment set.

Groups menu

Use all groups

The use all groups option enables you to select all groups and their fragment contents.

Do not use any group

The do not use any group command allows you to deselect all groups and their fragment contents.

Create new group

The create new group option allows you to create a new fragment group in your fragment set.

Delete selected group and all contained fragments

The delete selected group and all contained fragments option allows you to delete the currently selected group and its contained fragments.

Use at least one fragment of the selected group

The use at least one fragment of the selected group command allows you to generate molecules that contain at least one fragment of the currently selected group.

Use at most one fragment of the selected group

The use at most one fragment of the selected group command enables you to generate molecules that contain at most one fragment of the currently selected group.

By selecting use at least one fragment of the selected group and the use at most one fragment of the selected group option you may generate molecules that exactly contain one fragment of the current group.

Fragments menu

Import new fragments into current group

The import new fragment into current group option allows you to import MDL MOL Files or SMILES Files to the currently selected group of your fragment set.

Use all fragments of the selected group

The use all fragments of the selected group option enables you to select all fragments of the current group.

Do not use any fragment of the selected group

The do not use any fragment of the selected group option allows you to deselect all fragments of the current group.

Use selected fragment at least once

The use selected fragment at least once command enables you to generate molecules that contain the currently selected fragment at least once.

Use selected fragment at most once

The use selected fragment at most once option allows you to generate molecules that contain the current fragment at most once.

By selecting use selected fragment at least once and the use selected fragment at most once option you may generate molecules that contain the currently selected fragment exactly once.

View menu

2D fragment viewer

Only 2D depiction. 3D depiction is disabled.

3D fragment viewer

Only 3D depiction. 2D depiction is disabled.

2D/3D fragment viewer

Both 2D and 3D depiction are enabled.

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