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
 ICM Convert
 Optimize
 Regularization
 Impose Conformation
 Edit Structure
 MMFF
 Minimize
 Sample Loop
 Normal Mode
 Stack
 GAMESS
 Energy Terms
Cheminformatics
Chemsitry Menu
Docking
Ligand Editor
Tables
Local Databases
FAQs
Tutorials
 
Index
PrevICM User's Guide
14.2 Optimize H,His,Asn,Gln,Pro		Next

This option optimizes H, His, Asn, Gln, and Pro by maximizing hydrogen bonds and other interactions with the rest of the protein and/or with the ligand.

To perform this optimization

  • Convert your protein to an ICM Object.
  • Select MolMechanics/Optimize, H, His,Asn,Gln and Pro
  • Choose whether you want to sample rotatable hydrogens or optimize His, Asn and Gln.

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Regularization

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