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tsoc
openmm
Commits
539678d0
Commit
539678d0
authored
Nov 29, 2017
by
peastman
Browse files
Fixed error on Python 2
parent
1d97e9ff
Changes
1
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wrappers/python/simtk/openmm/app/modeller.py
wrappers/python/simtk/openmm/app/modeller.py
+2
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wrappers/python/simtk/openmm/app/modeller.py
View file @
539678d0
...
...
@@ -1192,8 +1192,8 @@ class Modeller(object):
patchPos
=
patchPdb
.
positions
.
value_in_unit
(
nanometer
)
patchSize
=
patchPdb
.
topology
.
getUnitCellDimensions
().
value_in_unit
(
nanometer
)
patchCenterPos
=
(
min
(
patchPos
)
+
max
(
patchPos
))
/
2
nx
=
ceil
((
proteinSize
[
0
]
+
2
*
minimumPadding
)
/
patchSize
[
0
])
ny
=
ceil
((
proteinSize
[
1
]
+
2
*
minimumPadding
)
/
patchSize
[
1
])
nx
=
int
(
ceil
((
proteinSize
[
0
]
+
2
*
minimumPadding
)
/
patchSize
[
0
])
)
ny
=
int
(
ceil
((
proteinSize
[
1
]
+
2
*
minimumPadding
)
/
patchSize
[
1
])
)
# Identify the ion types.
...
...
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