How to understand your results:

The 3D panel below displays the structure of the targeted protein. It is followed by two tables containing the ligand poses calculated by Attracting Cavities 2.0:

• Best members where you have the best member of each cluster and you can choose the number of cluster to display
• By cluster where you have a table containing all members of a cluster, and you can choose the cluster to display

You can click on a line of this table to display the corresponding ligand pose in the 3D panel. The latter can be hidden by clicking again on the table line. It is possible to display or hide molecular interactions between the ligand in its current pose and the surrounding target residues by clicking on the corresponding button below the 3D panel. Several poses can be displayed at the same time for comparison, shift+click on the line you want to add.

The dock4 file can be read in Chimera with Tools>Surface/Binding Analysis/ViewDock select your dock4 and in ChimeraX with the command line: "open result.dock4 format swissdock" then "viewdockx".

How to understand your results:

The 3D panel below displays the structure of the targeted protein. It is followed by a table containing the ligand poses calculated by AutoDock Vina. You can click on a line of this table to display the corresponding ligand pose in the 3D panel. The latter can be hidden by clicking again on the table line. It is possible to display or hide molecular interactions between the ligand in its current pose and the surrounding target residues by clicking on the corresponding button below the 3D panel. Several poses can be displayed at the same time for comparison, shift+click on the line you want to add.