Exemplo n.º 1
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents = [basic_parser()],
                            conflict_handler='resolve')

    # Setting forced alpha-helix --> each entry is a tuple; repetitions store several tuples
    parser.add_argument("--ahelix", dest="ahelix", action="append", type=int, nargs=2,
                         help="Regions forced to be alpha helix", metavar="A_ini A_end")
    # Setting forced beta-strand --> each entry is a tuple; repetitions store several tuples
    parser.add_argument("--bstrand", dest="bstrand", action="append", type=int, nargs=2,
                         help="Regions forced to be abeta strand", metavar="S_ini S_end")
    # Fixing distances between CA --> each entry is a tuple; repetitions store several tuples
    parser.add_argument("--distance", dest="distance", action="append", nargs=3,
                        type=float, metavar="CA1 CA2 Dist",
                         help="Fixed distance between two CA, specify as: CA1 CA2 Distance")

    parser.add_argument("--models", dest="numMod",     action="store",
                        type=int,   metavar="MOD_NUM", default=5,
                        help="Number of models to be done (min: 1) [Default: 5]")

    parser.add_argument("--optimize",  dest="optimize", action="store_true",
                        default=False, help="Activate optimization")
    return parser.parse_args()
Exemplo n.º 2
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents=[basic_parser()],
                            conflict_handler='resolve')

    # Setting forced alpha-helix --> each entry is a tuple; repetitions store several tuples
    parser.add_argument("--ahelix",
                        dest="ahelix",
                        action="append",
                        type=int,
                        nargs=2,
                        help="Regions forced to be alpha helix",
                        metavar="A_ini A_end")
    # Setting forced beta-strand --> each entry is a tuple; repetitions store several tuples
    parser.add_argument("--bstrand",
                        dest="bstrand",
                        action="append",
                        type=int,
                        nargs=2,
                        help="Regions forced to be abeta strand",
                        metavar="S_ini S_end")
    # Fixing distances between CA --> each entry is a tuple; repetitions store several tuples
    parser.add_argument(
        "--distance",
        dest="distance",
        action="append",
        nargs=3,
        type=float,
        metavar="CA1 CA2 Dist",
        help="Fixed distance between two CA, specify as: CA1 CA2 Distance")

    parser.add_argument(
        "--models",
        dest="numMod",
        action="store",
        type=int,
        metavar="MOD_NUM",
        default=5,
        help="Number of models to be done (min: 1) [Default: 5]")

    parser.add_argument("--optimize",
                        dest="optimize",
                        action="store_true",
                        default=False,
                        help="Activate optimization")
    return parser.parse_args()
Exemplo n.º 3
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents = [basic_parser()],
                            conflict_handler='resolve')

    parser.add_argument("--models", dest="numMod",     action="store",
                        type=int,   metavar="MOD_NUM", default=5,
                        help="Number of models to be done (min: 1) [Default: 5]")

    parser.add_argument("--optimize",  dest="optimize", action="store_true",
                        default=False, help="Activate optimization")
    return parser.parse_args()
Exemplo n.º 4
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents = [basic_parser()],
                            conflict_handler='resolve')

    parser.add_argument("--models", dest="numMod",     action="store",
                        type=int,   metavar="MOD_NUM", default=5,
                        help="Number of models to be done (min: 1) [Default: 5]")

    parser.add_argument("--optimize",  dest="optimize", action="store_true",
                        default=False, help="Activate optimization")
    return parser.parse_args()
Exemplo n.º 5
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents=[basic_parser()],
                            conflict_handler='resolve')

    parser.add_argument(
        "--models",
        dest="numMod",
        action="store",
        type=int,
        metavar="MOD_NUM",
        default=5,
        help="Number of models to be done (min: 1) [Default: 5]")
    parser.add_argument(
        "--loops",
        dest="numLoop",
        action="store",
        type=int,
        metavar="LOOP_NUM",
        default=5,
        help="Number of loop to be done per model (min: 1) [Default: 5]")
    parser.add_argument("--constraints",
                        dest="constraints",
                        action="store",
                        type=str,
                        metavar="CONST",
                        default=None,
                        help="Constraint file")
    parser.add_argument("--dopeloop",
                        dest="dopel",
                        action="store_true",
                        default=False,
                        help="Optimize loops with DOPE")
    parser.add_argument("--optimize",
                        dest="optimize",
                        action="store_true",
                        default=False,
                        help="Activate optimization")
    return parser.parse_args()
Exemplo n.º 6
0
def set_options(*args, **kargs):
    '''
    Set the specific options for this script

    @return: parsed ArgumentParser
    '''
    parser = ArgumentParser(parents = [basic_parser()],
                            conflict_handler='resolve')

    parser.add_argument("--models", dest="numMod",     action="store",
                        type=int,   metavar="MOD_NUM", default=5,
                        help="Number of models to be done (min: 1) [Default: 5]")
    parser.add_argument("--loops", dest="numLoop",     action="store",
                        type=int,  metavar="LOOP_NUM", default=5,
                        help="Number of loop to be done per model (min: 1) [Default: 5]")
    parser.add_argument("--constraints", dest="constraints", action="store",
                        type=str, metavar="CONST", default=None,
                        help="Constraint file")
    parser.add_argument("--dopeloop",  dest="dopel", action="store_true",
                        default=False, help="Optimize loops with DOPE")
    parser.add_argument("--optimize",  dest="optimize", action="store_true",
                        default=False, help="Activate optimization")
    return parser.parse_args()