1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53
|
##############################################################################
# pymbar: A Python Library for MBAR
#
# Copyright 2010-2017 University of Colorado Boulder, Memorial Sloan-Kettering Cancer Center
#
# Authors: Michael Shirts, John Chodera
# Contributors: Kyle Beauchamp, Levi Naden
#
# pymbar is free software: you can redistribute it and/or modify
# it under the terms of the MIT License.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# MIT License for more details.
#
# You should have received a copy of the MIT License along with pymbar.
##############################################################################
"""The pymbar package contains the pymbar suite of tools for the analysis of
simulated and experimental data with the multistate Bennett acceptance
ratio (MBAR) estimator.
"""
__author__ = "Michael R. Shirts and John D. Chodera"
__license__ = "MIT"
__maintainer__ = "Levi N. Naden, Jaime RodrÃguez-Guerra, Michael R. Shirts and John D. Chodera"
__email__ = "levi.naden@choderalab.org,jaime.rodriguez-guerra@choderalab.org,michael.shirts@colorado.edu,john.chodera@choderalab.org"
from . import timeseries, testsystems, confidenceintervals
from .mbar import MBAR
from .other_estimators import bar, bar_overlap, bar_zero, exp, exp_gauss
from .fes import FES
__all__ = [
"exp",
"exp_gauss",
"bar",
"bar_overlap",
"bar_zero",
"MBAR",
"timeseries",
"testsystems",
"confidenceintervals",
"utils",
"FES",
]
from . import _version
__version__ = _version.get_versions()["version"]
|