Ejemplo n.º 1
0
#!/usr/bin/python
from IMP.npctransport import *
import sys
import barak_basic_configuration

IMP.npctransport.make_parser.add_option(
    "-n",
    "--nonspecifics",
    action="store_true",
    dest="nonspecifics_on",
    help="Whether to use non-specific interactions")
(options, args) = IMP.npctransport.make_parser.parse_args()

config = barak_basic_configuration.get_basic_config()
config.simulation_time_ns = 5000
config.dump_interval_ns = 500
config.statistics_interval_ns = 0.1
config.maximal_number_of_frames = 400000000
config.time_step_factor.lower = 2.5

fg = IMP.npctransport.add_fg_type(config,
                                  number_of_beads=12,
                                  number=12,
                                  radius=8,
                                  interactions=1)
kap = IMP.npctransport.add_float_type(config,
                                      number=10,
                                      radius=20,
                                      interactions=12)
if options.nonspecifics_on:
    nonspecifics = IMP.npctransport.add_float_type(config,
Ejemplo n.º 2
0
#!/usr/bin/env python

from IMP.npctransport import *
import sys
import barak_basic_configuration

config= barak_basic_configuration.get_basic_config()
config.dump_interval=25000
config.number_of_frames=50000000

fg= IMP.npctransport.add_fg_type(config,
                                 number_of_beads=8,
                                 number=24,
                                 radius=8,
                                 interactions=1)
kap= IMP.npctransport.add_float_type(config,
                                     number=10,
                                     radius=20,
                                     interactions=12)
nonspecifics= IMP.npctransport.add_float_type(config,
                                              number=10,
                                              radius=20,
                                              interactions=0)

interactionFG_KAP= IMP.npctransport.add_interaction(config,
                                                    name0="fg0",
                                                    name1="kap",
                                                    interaction_k=30,
                                                    interaction_range=5)
interactionFG_CRAP= IMP.npctransport.add_interaction(config,
                                                     name0="fg0",