diff --git a/meta_data_analysis/__pycache__/reference_dict.cpython-37.pyc b/meta_data_analysis/__pycache__/reference_dict.cpython-37.pyc index 3c936f9..966f27f 100644 Binary files a/meta_data_analysis/__pycache__/reference_dict.cpython-37.pyc and b/meta_data_analysis/__pycache__/reference_dict.cpython-37.pyc differ diff --git a/meta_data_analysis/reference_dict.py b/meta_data_analysis/reference_dict.py index e83ce2c..b274df2 100755 --- a/meta_data_analysis/reference_dict.py +++ b/meta_data_analysis/reference_dict.py @@ -13,20 +13,19 @@ import os #!#########################! # REQUIREMNETS: -# Data_original/ must exist +# Data/ must exist # containing GWAS data #!#########################! -#print(os.getcwd()) -#homedir = os.path.expanduser('~') # spyder/python doesn't recognise tilde -#os.chdir(homedir + '/git/Data/pyrazinamide/input/original') +print(os.getcwd()) +homedir = os.path.expanduser('~') # spyder/python doesn't recognise tilde +os.chdir(homedir + '/git/Data/pyrazinamide/input/original') print(os.getcwd()) #%% ############# specify variables for input and output paths and filenames drug = 'pyrazinamide' #gene = 'pnca' - datadir = homedir + '/git/Data' basedir = datadir + '/' + drug + '/input' @@ -100,6 +99,13 @@ qualities_polarity = { ('D', 'E'): 'acidic' , ('A', 'F', 'I', 'L', 'M', 'P', 'V', 'W'): 'non-polar' } +# almost same as the one above +aa_calcprop = { ('D', 'E'): 'neg' + , ('H', 'K', 'R'): 'pos' + , ('N', 'Q', 'S', 'T', 'Y'): 'polar' + , ('C', 'G', 'A', 'F', 'I', 'L', 'M', 'P', 'V', 'W'): 'non-polar' +} + #============================================================================== #adding amino acid properties to my dict of dicts for k, v in my_aa_dict.items(): @@ -109,6 +115,7 @@ for k, v in my_aa_dict.items(): v['aa_taylor'] = list() #initialise keys (allows for overalpping properties) v['aa_prop_water'] = str() #initialise keys v['aa_prop_polarity'] = str() #initialise keys + v['aa_calcprop'] = str() #initialise keys for group in qualities1: if v['one_letter_code'] in group: @@ -129,6 +136,10 @@ for k, v in my_aa_dict.items(): for group in qualities_polarity: if v['one_letter_code'] in group: v['aa_prop_polarity']+= qualities_polarity[group] # += for str concat + + for group in aa_calcprop: + if v['one_letter_code'] in group: + v['aa_calcprop']+= aa_calcprop[group] # += for str concat #COMMENT:VOILA!!! my_aa_dict is now a dict of dicts containing all associated properties for each aa #==============================================================================