""" 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 from amberinpcrdfile import AmberInpcrdFile from dcdfile import DCDFile from gromacsgrofile import GromacsGroFile from gromacstopfile import GromacsTopFile from desmonddmsfile import DesmondDMSFile from dcdreporter import DCDReporter from modeller import Modeller from statedatareporter import StateDataReporter from element import Element # 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 HCT = amberprmtopfile.HCT OBC1 = amberprmtopfile.OBC1 OBC2 = amberprmtopfile.OBC2 GBn = amberprmtopfile.GBn