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
