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22.6 How to Work with the ICM 3D Ligand Editor
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[ Setup Ligand | Setup Receptor | Preferences | Default Display | Surface | Hydrogen Bonds | Energy Circles | Display Hydrogens | Unsatisfied Hydrogen Bonds | Center Ligand | Edit | Undo/Redo | Add Substituent | Multiple Substitutents | Edit 2D | SCORE and Strain | Save Spreadsheet | Pocket Size | Minimization | Dock | Restrain | Screen Substituents | Fragment Linkers ]

22.6.1 How to setup the ligand in the ICM 3D Ligand Editor.


22.6.2 How to setup the receptor in the ICM 3D Ligand Editor.


22.6.3 How to change the 3D Ligand Editor preferences.


22.6.4 How to configure the default display in the ICM 3D Ligand Editor.


22.6.5 How to display and undisplay the ligand surface representation in the ICM 3D Ligand Editor.


22.6.6 How to display hydrogen bonds in the ICM 3D ligand editor.


22.6.7 How to display energy atomic circles in the ICM 3D Ligand Editor.


22.6.8 How to display and undisplay hydrogen atoms in the ICM 3D Ligand Editor.


22.6.9 How to display unsatisfied hydrogen bonds in the ICM 3D Ligand Editor.


22.6.10 How to center on a ligand in the ICM 3D Ligand Editor.


22.6.11 How to begin editing your ligand in the ICM 3D Ligand Editor.


22.6.12 How to undo and redo changes in the ICM 3D Ligand Editor.


22.6.13 How to add and sample new substiutents to your ligand in the ICM 3D Ligand Editor.


22.6.14 How to sample more than one substituent at a time in the ICM 3D Ligand Editor.


22.6.15 How to edit the ligand in 2D in the ICM 3D Ligand Editor.


22.6.16 How to evaluate the SCORE and ligand strain..


22.6.17 How to add an edited ligand to a chemical spreadsheet (table).


22.6.18 How to change the size of the ligand binding pocket - change purple box size.


22.6.19 How to perform ligand minimization in the ICM 3D Ligand Editor.


22.6.20 How to re-dock a ligand in the ICM 3D Ligand Editor.


22.6.21 How to restrain (tether) atoms during docking.


22.6.22 How to screen databases of chemical substituents.


22.6.23 How to sample linkers between two chemical fragments.



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