Home > Mateda2.0 > functions > protein > EvaluateEnergyFunctional.m

# EvaluateEnergyFunctional

## PURPOSE

[energy] = EvaluateEnergyFunctional(vector)

## SYNOPSIS

function[energy] = EvaluateEnergyFunctional(vector)

## DESCRIPTION

     [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)

## CROSS-REFERENCE INFORMATION

This function calls:

- EvalChainFunctional Given a chain of molecules, calculates the numer of Collisions with

This function is called by:

## SOURCE CODE

    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