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1981 (1)
1979 (1)
1Author    I. Knack, K.-H RohmRequires cookie*
 Title    Ein Programmpaket zur rechnerischen Konfor- mationsanalyse von Peptiden auf dem TR 440 A Program Package for the Analysis of Peptide Conformations on the TR 440  
 Abstract    The "Empirical Conformational Energy Program for Peptides (ECEPP)" by Scheraga and coworkers which calculates the conformational energies o f given peptide conformations was adapted for use with the CGK TR440 computer system. New programs for energy minimization, statistical data analysis and graphical display of peptide conformations were added. In this way the range of appli­ cation o f the original ECEPP program was considerably ex­ tended. At the same time, its handling was greatly simpli­ fied by an improved data input/output. 
  Reference    Z. Naturforsch. 36c, 347—349 (1981); eingegangen am 29. September 1980 
  Published    1981 
  Keywords    Peptide Conformations, Energy Calculations, Computer Programs 
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 TEI-XML for    default:Reihe_C/36/ZNC-1981-36c-0347_n.pdf 
 Identifier    ZNC-1981-36c-0347_n 
 Volume    36 
2Author    Johann GasteigerRequires cookie*
 Title    Automatische Erzeugung pericyclischer Reaktionen Automatic Generation of Pericyclic Reactions  
 Abstract    A formal concept for the treatment of the bond and electron shifts in pericyclic reactions is developed. A new data structure for the representation of molecules allows the design of efficient algorithms. This resulted in a computer program for the exhaustive generation of pericyclic reactions. 
  Reference    (Z. Naturforsch. 34b, 67—75 [1979]; eingegangen am 30. Dezember 1977/14. September 1978) 
  Published    1979 
  Keywords    Pericyclic Reactions, Computer Program, Representation of Molecules, TT-Systems 
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 TEI-XML for    default:Reihe_B/34/ZNB-1979-34b-0067.pdf 
 Identifier    ZNB-1979-34b-0067 
 Volume    34