PyRosetta (16) Job Distributor

PyRosetta (16) Job Distributor

Example

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## Instantiation of a `PyJobDistributor` object
'''
output file name prefix: "output"
Job numbers: 10
Job evaluation: my_scorefxn
Notice: a file called `output.fasc` will also be generated. It summarizes the energies and RMSDs of all structures created.
'''
jd = PyJobDistributor("output", 10, my_scorefxn, compress=False)

## Set native_pose
'''
Assume that we have a `Pose` object called `my_starting_pose`
`my_starting_pose` is the native crystal structure
'''
jd.native_pose = my_starting_pose

## We can manually run a job
my_pose.assign(my_starting_pose)
my_mover.apply(my_pose)
jd.output_decoy(my_pose)

## Or, we can loop until all jobs are completed
while not jd.job_complete:
my_pose.assign(my_starting_pose)
my_mover.apply(my_pose)
jd.output_decoy(my_pose)
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