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| __init__(self,
cmsfile,
trjfile) |
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getFrame(self,
n)
Return N-th frame |
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getFrameTime(self,
n)
return chemical time of frame n. |
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getTimes(self)
return all chemical times that associate with this trajectory. |
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charge(self)
Charges of individual atoms in the structure. |
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mass(self)
Mass of individual atoms in the structure. |
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total_mass(self)
Total mass of all atoms in the structure. |
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writeCms(self,
cmsfilename,
n)
Write a cms file with coordinate and velocity from the specified
frame. |
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| analyze(self,
analysis_tools) |
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