diff --git a/clustering.py b/clustering.py index f3418a4..e8a3c11 100755 --- a/clustering.py +++ b/clustering.py @@ -318,7 +318,7 @@ def computeLigandSimilarity(target_names, fname): ligand_threshold = args.ligand_similarity #this actually is a sim if args.cpickle: - with open(args.cpickle, 'r') as file: + with open(args.cpickle, 'rb') as file: (distanceMatrix, target_names,ligandsim) = pickle.load(file) elif args.pdbfiles: if args.verbose: print("reading pdbs...") @@ -326,7 +326,7 @@ def computeLigandSimilarity(target_names, fname): if args.verbose: print("calculating distance matrix...") distanceMatrix = calcDistanceMatrix(targets) ligandsim = computeLigandSimilarity(target_names, args.pdbfiles) #returns similarity matrix indexed according to target_names - pickle.dump((distanceMatrix, target_names, ligandsim), open(args.pdbfiles+'.pickle','w'),-1) + pickle.dump((distanceMatrix, target_names, ligandsim), open(args.pdbfiles+'.pickle','wb'),-1) else: exit('error: need --cpickle or --pdbfiles to compute target distance matrix') if args.verbose: print('Number of targets: {}'.format(len(target_names))) diff --git a/combine_rows.py b/combine_rows.py index 96581b1..2d9e422 100755 --- a/combine_rows.py +++ b/combine_rows.py @@ -44,4 +44,4 @@ print("Missing ligand_sim for",targets[i],targets[j]) -pickle.dump((m, target_names, lm), open('matrix.pickle','w'),-1) +pickle.dump((m, target_names, lm), open('matrix.pickle','wb'),-1)