May 17 2013 Feedback.
Contents
 
Introduction
How Tos & Videos
Getting Started
Protein Structure
Molecular Graphics
Slides and Documents
ActiveICM
Movie Making
Sequences & Alignments
Protein Structure Analysis
Protein Superposition
Crystallographic Analysis
Homology & Modeling
 Introduction
 Start
 Build
 Interactive Modeling
 Display Loops
 Loop
 Design Loop
 Regul
 Refine SC
 Make Disulfide
3D Predict
Molecular Mechanics
Cheminformatics
Chemistry Menu
Docking
3D Ligand Editor
Tables
Local Databases
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
13.9 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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