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Contents
 
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Cheminformatics
Learn and Predict
MolScreen
3D Ligand Editor
 Setup Ligand and Receptor
 Preferences
 Display Options
 Score and Strain
 Edit Ligand
 Screen Replacement Group
 Scan
 Bioisostere Scan
 Dock or Minimize
 Dock Table
 Fragment Linking - Core Replacement
 Restraints
 Docking Templates
 Flexible Groups
 Refinement
 Multiple Receptor Docking
 Covalent Docking
 Dock to APF
 Save Docked Complex
 Export Docking Project
 Close Project
Tables and Plots
Local Databases
KNIME
Tutorials
 
Index
PrevICM User's Guide
10.13 Docking Templates
Next

You can use either substructure or Atomic Property Field Templates for docking.

  • Setup the ligand and receptor.
  • File/Open a 3D template structure and place in the pocket.
  • Click on the Edit Tools panel button.
  • Click on the Impose Template Restraint button.
  • Select the template object from the drop down menu and choose whether you wish to impose substructure or 3D pharmacophore APF template.
  • A table will be displayed called DOCK_RESTRAINTS where you can turn the template on or off.


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Flexible Groups

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