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tsoc
openmm
Commits
6bfe2d8b
"wrappers/python/vscode:/vscode.git/clone" did not exist on "88d7ee6a1eb05fe0e3284192e4672008118b051f"
Commit
6bfe2d8b
authored
Feb 22, 2012
by
Mark Friedrichs
Browse files
Added missing units for cases when temperature_factor is absent
parent
91eeb088
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
wrappers/python/simtk/openmm/app/internal/pdbstructure.py
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
View file @
6bfe2d8b
...
...
@@ -660,7 +660,7 @@ class Atom(object):
try
:
temperature_factor
=
float
(
pdb_line
[
60
:
66
])
*
unit
.
angstroms
*
unit
.
angstroms
except
:
temperature_factor
=
0.0
temperature_factor
=
0.0
*
unit
.
angstroms
*
unit
.
angstroms
self
.
locations
=
{}
loc
=
Atom
.
Location
(
alternate_location_indicator
,
Vec3
(
x
,
y
,
z
)
*
unit
.
angstroms
,
occupancy
,
temperature_factor
,
self
.
residue_name_with_spaces
)
self
.
locations
[
alternate_location_indicator
]
=
loc
...
...
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