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9.19 Sample Protein
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To generate a stack of energetically favorable protein conformers using the ICM Biased Probability Monte Carlo method:

  • Read in a protein structure and convert to an ICM object.
  • Select the residues you wish to sample.
  • MolMechanics/Sample Protein
  • Enter a value for Effort. This represents the length of the simulation - values between 1 and 10 will give a thorough sampling. A larger effort value will be needed for larger proteins.
  • Enter a value for the Angular Vicinity (default 15). Please see http://www.molsoft.com/man/reals.html#vicinity
  • Enter a Temperature value. Please see http://www.molsoft.com/man/reals.html#temperature
  • Click OK.
  • When the simulation is finished a stack of conformations will be displayed in the ICM workspace.


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