[ 3D Ligand Editor | Convert to 3D | Ligand Energetics | Superimpose Chemicals | QSAR ]

3.5.1 How to use the ICM 3D Ligand Editor

ICM Chemist-Pro Contains All the Tools in ICM-Chemist	ICM-Chemist Reference Guide
ICM 3D Ligand Editor: Setup
How to setup the ligand in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to setup the receptor in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to change the 3D Ligand Editor preferences.	HTML GUI Manual	video
ICM 3D Ligand Editor: Display
How to display and undisplay the ligand surface representation in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to display hydrogen bonds in the ICM 3D ligand editor.	HTML GUI Manual	video
How to display energy atomic circles in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to display and undisplay hydrogen atoms in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to display unsatisfied hydrogen bonds in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to center on a ligand in the ICM 3D Ligand Editor.	HTML GUI Manual	video
ICM 3D Ligand Editor: Edit Ligand
How to begin editing your ligand in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to undo and redo changes in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to add and sample new substiutents to your ligand in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to sample more than one substituent at a time in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to edit the ligand in 2D in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to evaluate the SCORE and ligand strain.	HTML GUI Manual	video
How to add an edited ligand to a chemical spreadsheet (table).	HTML GUI Manual	video
How to change the size of the ligand binding pocket - change purple box size.	HTML GUI Manual	video
ICM 3D Ligand Editor: Docking and Minimization
How to perform ligand minimization in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to re-dock a ligand in the ICM 3D Ligand Editor.	HTML GUI Manual	video
How to restrain (tether) atoms during docking.	HTML GUI Manual	video
How to screen databases of chemical substituents.	HTML GUI Manual	video
How to sample linkers between two chemical fragments.	HTML GUI Manual	video

3.5.2 How to Convert Chemicals to 3D

Convert Chemicals to 3D
How to convert 2D chemical sketches to 3D.	HTML GUI Manual	video
How to convert 3D chemicals to 2D.	HTML GUI Manual	video
How to generate 3D ligand conformers.	HTML GUI Manual	video

3.5.3 Ligand Energetics

Ligand Energetics
How to calculate conformation entropy.	HTML GUI Manual	video
How to calculate conformational strain.	HTML GUI Manual	video

3.5.4 How to Superimpose Chemicals

How to Superimpose Chemicals
How to Perform Rigid Chemical Substructure Superposition.	HTML GUI Manual	video
How to Perform Flexible Chemical Substructure Superposition.	HTML GUI Manual	video
How to use Atomic Property Fields for Chemical Superposition	HTML GUI Manual	video

3.5.5 How to Perform QSAR

QSAR
How to build a QSAR prediction model.	HTML GUI Manual	video
How to apply a QSAR prediction model.	HTML GUI Manual	video