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changed aa_prop_water to 3 categ according to KD, updated ref dict

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Tanushree Tunstall 2021-06-14 13:22:56 +01:00
parent 2a8133898f
commit 58b5b63595
2 changed files with 11 additions and 7 deletions
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8
scripts/mut_electrostatic_changes.py
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@ -5,13 +5,15 @@ Created on Tue Aug 6 12:56:03 2019
@author: tanu
'''
# FIXME: import dirs.py to get the basic dir paths available
#=======================================================================
# TASK: calculate how many mutations result in
# electrostatic changes wrt wt
# Input: merged_df3
# Input: mCSM-normalised file or any file containing one-letter aa code
# of wt and mut
# Note: this can be easily modified into 3-letter code
# TODO: turn to a function
# Output: mut_elec_changes_results.txt
#=======================================================================
@ -215,4 +217,4 @@ print('Total no. of mutations: ', total_muts
, '\nTotal no. of unchanged muts: ', no_change_muts.mut_count.sum()
, '\n=======================================================')
#%% end of script
#=======================================================================
#=======================================================================