def writemovie(part,
args,
movie,
mflag=0,
simaspect=None,
print_sim_warnings=False,
cmdname="Rosetta Design",
cmd_type='Fixed_Backbone_Sequence_Design',
useRosetta=False,
background=False):
"""
Write an input file for the simulator, then run the simulator,
in order to create a moviefile (.dpb file), or an .xyz file containing all
frames(??), or an .xyz file containing what would have
been the moviefile's final frame. The name of the file it creates is found in
movie.filename
"""
simrun = RosettaRunner(
part,
mflag,
simaspect=simaspect,
cmdname=cmdname,
cmd_type=cmd_type,
useRosetta=useRosetta,
background=background,
)
movie._simrun = simrun
simrun.run_using_old_movie_obj_to_hold_sim_params(movie, args)
return simrun.errcode
def writemovie(part,
args,
movie,
mflag = 0,
simaspect = None,
print_sim_warnings = False,
cmdname = "Rosetta Design",
cmd_type = 'Fixed_Backbone_Sequence_Design',
useRosetta = False,
background = False):
"""
Write an input file for the simulator, then run the simulator,
in order to create a moviefile (.dpb file), or an .xyz file containing all
frames(??), or an .xyz file containing what would have
been the moviefile's final frame. The name of the file it creates is found in
movie.filename
"""
simrun = RosettaRunner(part,
mflag,
simaspect = simaspect,
cmdname = cmdname,
cmd_type = cmd_type,
useRosetta = useRosetta,
background = background,
)
movie._simrun = simrun
simrun.run_using_old_movie_obj_to_hold_sim_params(movie, args)
return simrun.errcode
def writemovie(part,
args,
movie,
mflag = 0,
simaspect = None,
print_sim_warnings = False,
cmdname = "Rosetta Design",
cmd_type = 'Fixed_Backbone_Sequence_Design',
useRosetta = False,
background = False):
"""
Write an input file for the simulator, then run the simulator,
in order to create a moviefile (.dpb file), or an .xyz file containing all
frames(??), or an .xyz file containing what would have
been the moviefile's final frame. The name of the file it creates is found in
movie.filename
@param part: NE-1 part
@type part: L{Part}
@param args: argument list for rosetta simulation
@type args: list
@param movie: simulation object
@type movie: L{Movie}
@param simaspect: simulation aspect
@type simaspect:
@param cmdname: name of the command
@type cmdname: str
@param cmd_type: name of type of command
@type cmd_type: str
"""
simrun = RosettaRunner(part,
mflag,
simaspect = simaspect,
cmdname = cmdname,
cmd_type = cmd_type,
useRosetta = useRosetta,
background = background,
)
movie._simrun = simrun
simrun.run_rosetta(movie, args)
return simrun.errcode
def writemovie(part,
args,
movie,
mflag=0,
simaspect=None,
print_sim_warnings=False,
cmdname="Rosetta Design",
cmd_type='Fixed_Backbone_Sequence_Design',
useRosetta=False,
background=False):
"""
Write an input file for the simulator, then run the simulator,
in order to create a moviefile (.dpb file), or an .xyz file containing all
frames(??), or an .xyz file containing what would have
been the moviefile's final frame. The name of the file it creates is found in
movie.filename
@param part: NE-1 part
@type part: L{Part}
@param args: argument list for rosetta simulation
@type args: list
@param movie: simulation object
@type movie: L{Movie}
@param simaspect: simulation aspect
@type simaspect:
@param cmdname: name of the command
@type cmdname: str
@param cmd_type: name of type of command
@type cmd_type: str
"""
simrun = RosettaRunner(
part,
mflag,
simaspect=simaspect,
cmdname=cmdname,
cmd_type=cmd_type,
useRosetta=useRosetta,
background=background,
)
movie._simrun = simrun
simrun.run_rosetta(movie, args)
return simrun.errcode
