Nov 25 2008
Contents
 
Introduction
How To?
Menu Options
Graphics Tools
Tabs
Selections
Tables
Local DB
Sequences
Homology and Modelling
Working with Chemistry Tools
Chemsitry Menu
Docking
Ligand Editor
 Setup Ligand and Receptor
 Preferences
 Display Pocket
 Re-Dock
 Edit Ligand
 Ligand Tethers
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorials
 
Index
PrevICM User's Guide
14.3 Display Pocket - Property, H-Bond, and Energy
Next

Our first step is to display the binding pocket property surface, ligand and receptor hydrogen bonds, and atomic energy circles. To do this click on the buttons highlighted below.

About Hydrogen Bonds: The coloring of the H-bonds are red (strong - thick spheres) to blue (weak - thin spheres).

About the Property Surface: White=neutral surface Green=hydrophobic surface Red=hydrogen bonding acceptor potential Blue=hydrogen bond donor potential

About the Atomic Energy Rings: Good ligand-receptor interactions are highlighted by green spheres. Poor energy interactions are displayed as orange-->red stars - red being a major clash and a very poor energy contribution. Each stom is given an energy value relating to its contribution to the total receptor-ligand interaction energy. Low values colored green are considered favorable.


Prev
Preferences
Home
Up
Next
Re-Dock

Copyright© 1989-2008, Molsoft,LLC - All Rights Reserved.
This document contains proprietary and confidential information of Molsoft, LLC.
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.