Module generateFeaturesAll

Variables

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usage = """python %s <input SMILES file> <output root name> <o...

inputSmiles = sys.argv [1]

outputRoot = sys.argv [2]

outputDir = sys.argv [3]

SCRIPT = "qsub %s/utils/runscript3.sge" % NnRnnLocal

minDepth = 0

featureType = "C"

Variables Details

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usage

Value:

"""python %s <input SMILES file> <output root name> <output directory>
		Computes a range of features for the input molecules
		in the given repertory.
		Runs on the cluster.
		WARNING:
		    module unload gcc""" % sys.argv [0]