Source code for pylipid.util.rmsd
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# PyLipID: A python module for analysing protein-lipid interactions
#
# Author: Wanling Song
#
# Permission is hereby granted, free of charge, to any person obtaining a copy
# of this software and associated documentation files (the "Software"), to deal
# in the Software without restriction, including without limitation the rights
# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
# copies of the Software, and to permit persons to whom the Software is
# furnished to do so, subject to the following conditions:
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# The above copyright notice and this permission notice shall be included in all
# copies or substantial portions of the Software.
##############################################################################
import numpy as np
[docs]def rmsd(V, W):
"""
Calculate Root-mean-square deviation from two sets of vectors V and W.
Parameters
----------
V : array
(N,D) matrix, where N is points and D is dimension.
W : array
(N,D) matrix, where N is points and D is dimension.
Returns
-------
rmsd : scalar
Root-mean-square deviation between the two vectors
"""
diff = np.array(V) - np.array(W)
N = len(V)
return np.sqrt((diff * diff).sum() / N)