__init__.py

"""
OpenMM Application
"""
__docformat__ = "epytext en"

__author__ = "Peter Eastman"
__copyright__ = "Copyright 2011, Stanford University and Peter Eastman"
__credits__ = []
__license__ = "MIT"
__maintainer__ = "Peter Eastman"
__email__ = "peastman@stanford.edu"

from topology import Topology, Chain, Residue, Atom
from pdbfile import PDBFile
from forcefield import ForceField
from simulation import Simulation
from pdbreporter import PDBReporter
from amberprmtopfile import AmberPrmtopFile, HCT, OBC1, OBC2, GBn, GBn2
from amberinpcrdfile import AmberInpcrdFile
from dcdfile import DCDFile
from gromacsgrofile import GromacsGroFile
from gromacstopfile import GromacsTopFile
from dcdreporter import DCDReporter
from modeller import Modeller
from statedatareporter import StateDataReporter
from element import Element
from desmonddmsfile import DesmondDMSFile
from checkpointreporter import CheckpointReporter
from charmmcrdfiles import CharmmCrdFile, CharmmRstFile
from charmmparameterset import CharmmParameterSet
from charmmpsffile import CharmmPsfFile

# Enumerated values

NoCutoff = forcefield.NoCutoff
CutoffNonPeriodic = forcefield.CutoffNonPeriodic
CutoffPeriodic = forcefield.CutoffPeriodic
Ewald = forcefield.Ewald
PME = forcefield.PME

HBonds = forcefield.HBonds
AllBonds = forcefield.AllBonds
HAngles = forcefield.HAngles