Jul 3 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
Display Tab
Light Tab
Labels Tab
PDB Search Tab
Meshes Tab
View Menu
Selections
Tables
Local DB
Sequences
Bioinfo Menu
Tools Menu - Xray
Tools Menu - 3D Predict
Tools Menu - Analysis
Tools Menu - Superimpose
Homology and Modelling
 Introduction
 Build
 Display Loops
 Loop
 Regul
 Refine SC
 Make Disulfide
Working with Chemistry Tools
Chemsitry Menu
Docking
Ligand Editor
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorial - Graphical Display
Molecular Document
Tutorial - Working with PDB Protein Structures
Tutorial - Working with Sequence Alignments
Tutorial - Ligand Binding Pocket Analysis
Tutorial - Homology and Modeling Tools
Tutorial - Crystallographic Analysis Tools
Tutorial - Working with Chemical Tables
Tutorial - Working with the Molecular Editor
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
PrevICM User's Guide
20.6 Refine Side Chains
Next

To refine or optimize a selection of side chains the structure needs to be an ICM object.

  • Make a selection of the side chains you wish to optimize. See how to make selections section.
  • Right click on the selection in the graphical display. A selection will be displayed as green crosses.
  • Select from the right click menu Advanced/Optimize Side Chains and a data entry box as shown below will be displayed.
  • Enter the number of calls per variable you wish to use for the simulation. For more details on this please see the ICM language manual.

A stack of energy conformations will be displayed in a table. Each conformation can be viewed simply by clicking in the table.


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