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Merge pull request #10 from KPLauritzen/master
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Import argparse if running rmsd directly
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charnley committed Oct 19, 2015
2 parents e5a9bc5 + 0f26091 commit 6ff4a4c
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2 changes: 1 addition & 1 deletion calculate_rmsd
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Expand Up @@ -9,7 +9,6 @@ license: https://github.com/charnley/rmsd/blob/master/LICENSE
"""

import argparse
import numpy as np
import re

Expand Down Expand Up @@ -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.
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