InteractionViewer

InteractionViewer is a module designed to explore protein-ligand interactions in detail.
With this module, you can see visualizations of different kinds of protein-ligand complexes, including AI-predicted ESP surfaces.
Predecessor modules: AI-Dock, AI-Dock Plus, DeepCalici, DeepCalici Plus

Connect the InteractionViewer module after the completed AI-Dock Plus module.
The AI-Dock Plus module can be replaced by the AI-dock, DeepCalici, or DeepCalici-Plus modules.

Then click the 'Run' button.

Module usage demonstration

Running the InteractionViewer module

Select the ligands you want to see more about their interactions with proteins.

Progress messages

The module will process a variety of information, including ESP surfaces.

Module completed

Click the 'Result' button to see its results.

Result screen

Exploring complexes

① Toggle fullscreen
② Change background color
③ Rotate the molecule automatically
④ Shake the molecule automatically
⑤ Move molecule to the center
⑥ Save screenshot

You can choose from a variety of composite display options.
- Orthographic : Simplified representation, projecting a three-dimensional structure onto a plane. All lines are projected parallel.
- Perspective : More realistic representation, perspective effects make distant objects appear smaller.
- Stereo : Creates a pair of images, creating a stereoscopic effect when viewed through the left and right eye.
(This is a passive stereo method that is often used for output).

You can choose different ways to represent proteins (duplicates are allowed)

Select the ligand you want to explore in more detail.
The ligands that interact with the pocket portion of the protein will be represented in detail.

① To view the details of an interaction, hover over it.
② Choose the type of interaction you'd like to see represented.