diff --git a/calculate_rmsd b/calculate_rmsd index 12b6323..0f5c87e 100755 --- a/calculate_rmsd +++ b/calculate_rmsd @@ -9,7 +9,6 @@ license: https://github.com/charnley/rmsd/blob/master/LICENSE """ -import argparse import numpy as np import re @@ -200,6 +199,7 @@ def get_coordinates(filename, ignore_hydrogens=False): if __name__ == "__main__": + import argparse description = """ Calculate Root-mean-square deviation (RMSD) between structure A and B, in XYZ format.