OpenStructure
build-dev-doc
stage
lib64
python3.9
site-packages
ost
mol
mm
__init__.py
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#------------------------------------------------------------------------------
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# This file is part of the OpenStructure project <www.openstructure.org>
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#
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# Copyright (C) 2008-2020 by the OpenStructure authors
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#
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# This library is free software; you can redistribute it and/or modify it under
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# the terms of the GNU Lesser General Public License as published by the Free
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# Software Foundation; either version 3.0 of the License, or (at your option)
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# any later version.
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# This library is distributed in the hope that it will be useful, but WITHOUT
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# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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# FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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# details.
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#
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# You should have received a copy of the GNU Lesser General Public License
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# along with this library; if not, write to the Free Software Foundation, Inc.,
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# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
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#------------------------------------------------------------------------------
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import
os.path
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from
._ost_mol_mm
import
*
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from
.
import
antechamber
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import
ost
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def
LoadAMBERForcefield
():
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return
Forcefield.Load(os.path.join(
ost.GetSharedDataPath
(),
'forcefields'
,
'AMBER03.dat'
))
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def
LoadCHARMMForcefield
():
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return
Forcefield.Load(os.path.join(
ost.GetSharedDataPath
(),
'forcefields'
,
'CHARMM27.dat'
))
ost::mol::mm.LoadCHARMMForcefield
def LoadCHARMMForcefield()
Definition:
__init__.py:28
ost::mol::mm.LoadAMBERForcefield
def LoadAMBERForcefield()
Definition:
__init__.py:25
ost::GetSharedDataPath
String DLLEXPORT_OST_BASE GetSharedDataPath()
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