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tidied and updated kd and dssp scripts & generated their respective outputs

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Tanushree Tunstall 2020-03-25 18:19:23 +00:00
parent 87a847109a
commit 4c2fa2b600
6 changed files with 209 additions and 181 deletions
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meta_data_analysis/kd.py
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@ -6,7 +6,8 @@ Created on Tue Aug 6 12:56:03 2019
@author: tanu
'''
#=======================================================================
# Task: Hydrophobicity (Kd) values for amino acid sequence using the Kyt&-Doolittle
# Task: Hydrophobicity (Kd) values for amino acid sequence using the
# Kyt&-Doolittle.
# Same output as using the expasy server https://web.expasy.org/protscale/
# useful links
@ -102,7 +103,7 @@ print('======================================================================')
# which will allow easy merging of the two dfs.
# df1: df of aa seq with index reset to start from 1 (reflective of the actual aa position in a sequence)
# col name for wt is the same as reflected in the the AF_OR file to allow easy merging
# Name column of wt as 'wild_type' to be the same name used in the file required for merging later.
dfSeq = pd.DataFrame({'wild_type':list(sequence)})
dfSeq.index = np.arange(1, len(dfSeq) + 1) # python is not inclusive