To perform constrained docking to a template structure you need to position the template in the desired position in the receptor - this can be done by docking or using the connect option if the template is not already in the correct position. Make sure the template contains only the atoms you wish to match - a template can be edited by right clicking on it in the ICM Workspace and select Edit/ Edit Compound.

• Setup the docking project as described in the Small Molecule Docking chapter.
• Before starting the docking select Docking/Template
• Select the template object name.
• Select the template match method. Match by atom name, substructure, fuzzy or APF.
• Click OK
• Set the docking job running - Docking/Interactive or Docking/Run Docking Batch