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tsoc
openmm
Commits
85a6a3be
Commit
85a6a3be
authored
Apr 10, 2014
by
Jason Swails
Browse files
Clarify a docstring.
parent
31f09353
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1
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wrappers/python/simtk/openmm/app/charmm/psf.py
wrappers/python/simtk/openmm/app/charmm/psf.py
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wrappers/python/simtk/openmm/app/charmm/psf.py
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85a6a3be
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@@ -734,15 +734,11 @@ class ProteinStructure(object):
Sets the periodic box boundary conditions.
Parameters:
- box (list of 6 floats) : A list of 6 numbers representing a, b, c,
alpha, beta, and gamma, respectively (box lengths and angles).
If None, the system is assumed to be aperiodic
Notes:
The box can alternatively be a list of 3 numbers representing the
box lengths. In this case, the angles are assumed to be 90 degrees
The box here is copied via slicing, so changing the box that was
passed in will have no effect after set_box is called.
- lengths (list of 3 distances) : A sequence of 3 distances that
represent the lengths of the periodic box vectors
- angles (list of 3 angles) : A list of 3 angle measurements between
the periodic box vectors. Default is 90 degrees if lengths
is not None
"""
if
len
(
lengths
)
!=
3
:
raise
ValueError
(
'set_box requires 3 box lengths'
)
...
...
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