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tsoc
openmm
Commits
a2289e84
Commit
a2289e84
authored
Jan 20, 2016
by
John Chodera (MSKCC)
Browse files
Add warning about experimental API in ForceField
parent
454cd33c
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wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
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wrappers/python/simtk/openmm/app/forcefield.py
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a2289e84
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@@ -598,6 +598,8 @@ class ForceField(object):
def
getUnmatchedResidues
(
self
,
topology
):
"""Return a list of Residue objects from specified topology for which no forcefield templates are available.
.. CAUTION:: This method is experimental, and its API is subject to change.
Parameters
----------
topology : Topology
...
...
@@ -627,6 +629,8 @@ class ForceField(object):
def
generateTemplatesForUnmatchedResidues
(
self
,
topology
):
"""Generate forcefield residue templates for residues in specified topology for which no forcefield templates are available.
.. CAUTION:: This method is experimental, and its API is subject to change.
Parameters
----------
topology : Topology
...
...
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