Functions
def	sample_docking (pdb_filename, partners, translation=3.0, rotation=8.0, jobs=1, job_output='dock_output')
	Methods. More...

Variables
	extra_options

int	counter = 0
	AddPyMOLObserver(test_pose, True) More...

	parser = optparse.OptionParser()
	alternate application of the DockingProtocol pieces docking_low.apply(test_pose) docking_high.apply(test_pose) More...

	dest

	default

	help

	options

	args

	pdb_filename = options.pdb_filename

	partners = options.partners

	translation = float(options.translation)

	rotation = float(options.rotation)

	jobs = int(options.jobs)

	job_output = options.job_output

Function Documentation

◆ sample_docking()

def demo.D100_Docking.sample_docking	(	pdb_filename,
		partners,
		translation = `3.0`,
		rotation = `8.0`,
		jobs = `1`,
		job_output = `'dock_output'`
	)

Methods.

Performs protein-protein docking using the Rosetta standard DockingProtocol
    on the proteins in  <pdb_filename>  using the relative chain
    <partners>  with an initial perturbation using  <translation>
    Angstroms and  <rotation>  degrees.  <jobs>  trajectories are performed
    with output structures named  <job_output>_(job#).pdb.
    structures are exported to a PyMOL instance.

References pyrosetta.io.create_score_function, pyrosetta.distributed.io.pose_from_file(), and pyrosetta.Vector1().

Variable Documentation

◆ args

demo.D100_Docking.args

◆ counter

int demo.D100_Docking.counter = 0

AddPyMOLObserver(test_pose, True)

◆ default

demo.D100_Docking.default

◆ dest

demo.D100_Docking.dest

◆ extra_options

demo.D100_Docking.extra_options

◆ help

demo.D100_Docking.help

◆ job_output

demo.D100_Docking.job_output = options.job_output

◆ jobs

demo.D100_Docking.jobs = int(options.jobs)

◆ options

demo.D100_Docking.options

◆ parser

demo.D100_Docking.parser = optparse.OptionParser()

alternate application of the DockingProtocol pieces docking_low.apply(test_pose) docking_high.apply(test_pose)

INTERPRETING RESULTS

COMMANDLINE COMPATIBILITY

◆ partners

demo.D100_Docking.partners = options.partners

◆ pdb_filename

demo.D100_Docking.pdb_filename = options.pdb_filename

◆ rotation

demo.D100_Docking.rotation = float(options.rotation)

◆ translation

demo.D100_Docking.translation = float(options.translation)

Functions

Variables