[energy] = EvaluateEnergyFunctional(vector) EvaluateEnergyFunctional: Evaluates the energy corresponding to the sequence lattice configuration determined by the lattice in vector. From the residues positions, the interaction energies are calculated by the functional energy function (Hirst:1999) INPUTS vector: Sequence of residues ( (H)ydrophobic or (P)olar, respectively represented by zero and one) OUTPUTS energy: Energy evaluation. Last version 4/15/2009. Roberto Santana (roberto.santana@ehu.es)
0001 function[energy] = EvaluateEnergyFunctional(vector) 0002 % [energy] = EvaluateEnergyFunctional(vector) 0003 % EvaluateEnergyFunctional: Evaluates the energy corresponding to the sequence lattice configuration determined by the lattice in vector. 0004 % From the residues positions, the interaction energies are calculated by the functional energy function (Hirst:1999) 0005 % INPUTS 0006 % vector: Sequence of residues ( (H)ydrophobic or (P)olar, respectively represented by zero and one) 0007 % OUTPUTS 0008 % energy: Energy evaluation. 0009 % 0010 % Last version 4/15/2009. Roberto Santana (roberto.santana@ehu.es) 0011 0012 0013 global HPInitConf; 0014 0015 0016 [Collisions,Overlappings,Pos] = EvalChainFunctional(vector); 0017 0018 0019 if Collisions<0 0020 energy = Collisions*(Overlappings+1); 0021 else 0022 energy = Collisions/(Overlappings+1); 0023 end 0024