5.3 Analysing stored results - Valdes-Tresanco-MS/AMDock-win GitHub Wiki

In this tutorial, we intend to show how to analyze stored results. To do so, follow the instructions below:

  1. Open AMDock program
  2. Select Analyze Results
  3. Press Load Data
  4. Search the Project folder that you want to analyze.
  5. Open Project file (*.amdock)

Now you can select the pose(s) you want to visualize as in previous tutorials.

If you want to obtain the .pdb file of each of the poses (only the ligand) you can find them in the results folder located inside the project folder. If you want to save the protein-pose_X complex, you can do it through PyMOL.

Save complex in PyMOL (version 2.x):

  1. Select in the results table the pose that you want to visualize
  2. In PyMOL(version 2.x), enable only the receptor structure and the specific pose
  3. Go to File menu and Export molecule...
  4. In the open dialog in selection, select Enabled
  5. Save complex

Save complex in PyMOL (version < 2.0) (video):

  1. Select in the results table the pose that you want to visualize
  2. Go to File menu and Export molecule...
  3. In the open dialog, select both the receptor (Target) and the ligand (T_poses) by clicking while holding Ctrl
  4. Choose a name for the complex as well as the folder where it is going to be at
  5. Save complex