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inria-00100778, version 1

Binary integer programming and its use for envelope determination

Vladimir Y. Lunin a, Alexandre Urzhumtsev b, Alexander Bockmayr () c, 1

CCP4 Newsletter on Protein Crystallography, 40 (2002) 9 p

Résumé : The density values are linked to the observed magnitudes and unknown phases by a system of non-linear equations. When the object of search is a binary envelope rather than a continuous function of the electron density distribution, these equations can be replaced by a system of linear inequalities with respect to binary unknowns and powerful tools of integer linear programming may be applied to solve the phase problem. This novel approach was tested with calculated and experimental data for a known protein structure.

  • a –  RUSSIE
  • b –  UHP NANCY 1
  • c –  UNIVERSITE HENRI POINCARE
  • 1 :  MODBIO (INRIA Lorraine - LORIA)
  • INRIA – CNRS : UMR7503 – Université Henri Poincaré - Nancy I – Université Nancy II – Institut National Polytechnique de Lorraine (INPL)
  • Domaine : Informatique/Autre
  • Mots-clés : crystallographie – macromolecule – integer programming || cristallographie – macromolécule – programmation entière
  • Référence interne : A02-R-102 || lunin02b
  • Commentaire : Article dans une revue de vulgarisation.
 
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  • Soumis le : Mardi 26 Septembre 2006, 14:50:58
  • Dernière modification le : Jeudi 28 Septembre 2006, 15:22:47