load {
	pdb "Insert path to your PA2 .cif file here"
	saxs "Insert path to your PA2 .dat file here"
}
symmetry p2

# Ensure the two bodies do not drift too far apart
constrain {
	body1 b1s1
	body2 b1
	type attract
	distance 30
}

# Save the initial state for comparison
output output/rigidbody/symmetry/
save initial_state.pdb
save trajectory.xyz

# Set up the optimization scheme. 
# Since the symmetric partner is generated from the real body's _current_ position,
# translating or rotating the real body does not change anything. So we disable both of those. 
parameter_strategy {
	iterations 500
	translate 0
	rotate 0
	strategy symmetry_only
}

# Set up the optimization loop.
loop
	optimize_once
		# Save the full trajectory for visualization. 
		save full.xyz

		# When a better conformation is found, save it and print the improvement in the command window.
		on_improvement
			print {
				msg "{iteration}/{iterations_total}: Accepted with new chi2 {chi2_no_penalty}"
				colour green
			}
			save trajectory.xyz
		end
	end
end
save final_state.pdb