diff --git a/calculate_rmsd b/calculate_rmsd index 1c6a6eb..12b6323 100755 --- a/calculate_rmsd +++ b/calculate_rmsd @@ -178,7 +178,7 @@ def get_coordinates(filename, ignore_hydrogens=False): break atom = re.findall(r'[a-zA-Z]+', line)[0] - numbers = re.findall(r'[-]?\d+\.\d*', line) + numbers = re.findall(r'[-]?\d+\.\d*(?:[Ee][-\+]\d+)?', line) numbers = [float(number) for number in numbers] # ignore hydrogens