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        "author": "lu",
        "author_email": "lu@gmail.com",
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        "classifiers": [
            "License :: OSI Approved :: MIT License",
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        "description": "# transformation between smiles and bsmiles\nAll chemical molecules can be represented by SMILES notation. But from SMILES notation, can not seperate molecules into fragments directly. Here I create a new notation called BSMILES which is easier to check each fragment.\n\nExample:\n\n  SMILES notation: O(=C1CSC(c4ccccn4)N(c2ccc3c(cccc3)c2)1)   \n\n  BSMILES notation: O{0=C!CSCN!{4c%ccc!c(cccc!)c%}{3c!ccccn!}}\n\n  ## how to convert SMILES to BSMILES\n    from BSMILES.BSMILES import encode \n\n     bsmiles = encode(smiles)\n\n  ## how to convert BSMILES back to SMILES\n    from BSMILES.B_to_smiles import convertB \n\n    smiles = convertB(bsmiles)\n\n  ## how to get fragments from BSMILES notation\n  1. input one file then got one output file\n    from BSMILES.B_to_smiles import bsmiles_to_frag \n\n    inputfile_name =\"bsmiles\"\n    outputfile_name=\"fragment\"\n    bsmiles_to_frag(inputfile_name,outputfile_name)\n\n  2. input one bsmiles string return two vectors, the second one contains fragments.\n    from BSMILES.B_to_smiles import getFragments\n\n    bsmiles = \"any_kind_of_bsmiles\"\n    visited = []#contain all unique fragments from bsmiles\n    fragments = []#contain all fragments\n    visited,bsmiles = getFragments(visited,bsmiles)\n\n\n",
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        "name": "BSMILES",
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        "summary": "transformation between smiles and bsmiles",
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