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tsoc
openmm
Commits
f36b8080
Commit
f36b8080
authored
Aug 19, 2013
by
Robert McGibbon
Browse files
del the context after its call in addHydrogens
parent
8f9f824e
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wrappers/python/simtk/openmm/app/modeller.py
wrappers/python/simtk/openmm/app/modeller.py
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wrappers/python/simtk/openmm/app/modeller.py
View file @
f36b8080
...
@@ -769,6 +769,7 @@ class Modeller(object):
...
@@ -769,6 +769,7 @@ class Modeller(object):
LocalEnergyMinimizer
.
minimize
(
context
)
LocalEnergyMinimizer
.
minimize
(
context
)
self
.
topology
=
newTopology
self
.
topology
=
newTopology
self
.
positions
=
context
.
getState
(
getPositions
=
True
).
getPositions
()
self
.
positions
=
context
.
getState
(
getPositions
=
True
).
getPositions
()
del
context
return
actualVariants
return
actualVariants
def
addExtraParticles
(
self
,
forcefield
):
def
addExtraParticles
(
self
,
forcefield
):
...
...
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