MichaelsSNoteBook/2008-5-6

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evaluation script

rewritten the evalutation script. outputs now the following files:

"rosettaDesignEnergyDecompositionAllEnergies_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  includes all energies of all solutions 

"rosettaDesignEnergyDecompositionBestEnergies_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  includes only the best solution per template, defined by the rosetta score

"rosettaDesignAllSequences_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  contains all Sequences 


"rosettaDesignBestSequences_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  ncludes only the best sequence per template, defined by the rosetta score

rosettaDesignStreEval_rBest_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  re-evaluates the best solution with streE without prior minimizing

"rosettaDesignStreEvalAfterMin_rBest_" + xrayFileKey + "_" + nmrFileKey + ".txt"

  re-evaluates the best solution with streE with prior minimizing
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