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10.20 Export Docking Project.

Available in the following product(s): ICM-Pro | ICM-VLS | ICM-Chemist-Pro

This option makes it easy to switch from the 3D ligand editor environment (ligedit tab) to the docking menu. All the docking setup steps you have created in the 3D ligand editor are converted so you can use the docking and screening options in the docking menu.

  • Setup the ligand and receptor in the ligedit tab. Perform edits to the ligand etc...
  • Click on the Advanced button in the ligedit tab
  • Click on Export to Docking Project
  • You can choose to run a docking job immediately with the current ligand or just create the docking files. Check or uncheck the Run Docking Job button.
  • The docking files will be placed in your working directory (Tools/Change Working Directory). The files will have the docking project name dock_name_of_receptor and be stored in a directory called dock_name_of_receptor
  • You can use these files to perform screening using the docking menu. For example you would set the docking project name as dock_name_of_receptor.

Save Docked Complex
Close Project

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