|
@@ -43,7 +43,19 @@ class Conformations:
|
43
|
43
|
|
44
|
44
|
return squareform(pdist(dfnum, metric ='jaccard'))
|
45
|
45
|
|
46
|
|
-
|
|
46
|
+ def dissimilarity(self, matrix):
|
|
47
|
+ """
|
|
48
|
+ Returns a matrix of the distance between all conformations computed
|
|
49
|
+ according to a substitution matrix of the protein blocks.
|
|
50
|
+ If no substitution matrix is specified, use the matrix from the
|
|
51
|
+ PBxplore package.
|
|
52
|
+ """
|
|
53
|
+ dissimilarity = np.ndarray((self.df.shape[0],self.df.shape[0]))
|
|
54
|
+ if matrix == None:
|
|
55
|
+ matrix = pd.read_table("data/PBs_substitution_matrix.dat",
|
|
56
|
+ index_col=False, sep ='\t')
|
|
57
|
+ matrix.index = matrix.columns
|
|
58
|
+
|
47
|
59
|
|
48
|
60
|
if __name__ == "__main__":
|
49
|
61
|
if len(sys.argv) != 2:
|