Oct 21 2010 Feedback.
Contents
 
Introduction
How To Guide
Getting Started
Molecular Graphics
Slides and Documents
ActiveICM
Movie Making
Sequences & Alignments
Protein Structure Analysis
Protein Superposition
Crystallographic Analysis
Homology & Modeling
3D Predict
Molecular Mechanics
Cheminformatics
Chemsitry Menu
Docking
Ligand Editor
Tables
Local Databases
FAQs
Tutorials
 Graphical Display Tutorial
 Graphical Selections Tutorial
 3D Documents
 Working with PDB Protein Structures
 Sequence and Alignment Tutorial
 Ligand Binding Pocket Analysis
 Homology Modeling
 Crystallographic Analysis Tools
 Tutorial - Working with the Molecular Editor
 Tutorial - Chemical Searching
 Chemical 2D to 3D
 3D Ligand Editor
  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
 Superimpose Chemicals
 Plots and Histograms
 QSAR
 Tutorial - Docking and Virtual Ligand Screening
 VS Examples
 Docking a Markush Generated Library
 Multiple Receptor
 Explicit Group
 
Index
PrevICM User's Guide
22.12 How to Work with the ICM 3D Ligand Editor
Next

[ 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 ]

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


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


22.12.3 How to change the 3D Ligand Editor preferences.


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


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


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


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


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


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


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


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


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


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


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


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


22.12.16 How to evaluate the SCORE and ligand strain..


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


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


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


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


22.12.21 How to restrain (tether) atoms during docking.


22.12.22 How to screen databases of chemical substituents.


22.12.23 How to sample linkers between two chemical fragments.



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