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compare molecules to determine most similar conformations

compsort Editor's review

FromPaul A. Wilson:Command line tool for comparing comma delimited data files using relative differences to determine the most similar conformations. Compsort compares the data files using relative difference, calculates a similarity score, sorts the scores in ascending order (lower values represent greater similarity), saves X number of low scores. The data files produced by the user, must be comma delimited text files. Each file represents a unique molecule
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compare molecules to determine most similar conformations