compsortall 1.01 > Links

compare molecules to determine most similar conformations

Command line tool for comparing comma delimited data files using relative differences to determine the most similar conformations. Compsortall compares the data files using relative difference, calculates a similarity score, sorts the scores out of core in ascending order (lower values represent greater similarity), saves all scores in a text file. The data files produced by the user, must be ...

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compsortall 1.01 > See similar programs

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compsort

compare molecules to determine most similar conformations