Interactive 3D Ligand Editor

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Interactive Drug Design with the 3D ICM Ligand Editor

• Interactively edit a ligand bound to a receptor in 3D.
• Modify terminal atom with a chemical group (customizable groups).
• Fast building of heavy atom neighbors.
• Change atom properties.
• Join fragments by linkers.
• Change bond types.
• Edit ligand in 2D molecular editor.
• Delete atoms and bonds.
• Display hydrogen bonds, binding pocket, and atomic energy circles.
• Add edited ligands to table and save.
• Convenient undo and redo modification feature.
• Minimize edited ligand.
• Dock and/or minimize edited ligand.
• On the fly docking and scoring of replacement groups.
• Fragment docking.

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