MichaelsSNoteBook/2008-5-6

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