updated ref dict to create separate dicts
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1 changed files with 0 additions and 12 deletions
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@ -45,17 +45,6 @@ print('Input filename:', in_filename
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, '\nInput path:', datadir
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, '\n============================================================')
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#=======
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# output: No output
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#=======
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#outdir = datadir + '/' + drug + '/' + 'output'
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#out_filename = ''
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#outfile = outdir + '/' + out_filename
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#print('Output filename:', out_filename
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# , '\nOutput path:', outdir)
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#%% end of variable assignment for input and output files
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#=======================================================================
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#%% Read input file
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aa_table = pd.read_csv(infile) #20, 6
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@ -116,7 +105,6 @@ print('Printing upper case 3 letter aa dict:', up_3letter_aa_dict.keys())
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#================================================
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# dict of aa with their corresponding properties
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# This is defined twice
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#================================================
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# 7 categories: no overlap
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qualities1 = { ('R', 'H', 'K'): 'Basic'
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