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added Conformation.dissimilarity method, unfinished

master
Nicolas Zimmermann 2019-09-17 01:13:58 +02:00
parent 26eed4d9f2
commit dc6da63651
1 changed files with 13 additions and 1 deletions

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@ -43,6 +43,18 @@ class Conformations:
return squareform(pdist(dfnum, metric ='jaccard'))
def dissimilarity(self, matrix):
"""
Returns a matrix of the distance between all conformations computed
according to a substitution matrix of the protein blocks.
If no substitution matrix is specified, use the matrix from the
PBxplore package.
"""
dissimilarity = np.ndarray((self.df.shape[0],self.df.shape[0]))
if matrix == None:
matrix = pd.read_table("data/PBs_substitution_matrix.dat",
index_col=False, sep ='\t')
matrix.index = matrix.columns
if __name__ == "__main__":