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[modeller_usage] Using an external program to calculate an element of the energy function

Let's call F(x) the Modeller objective function, which
is minimized during the simulated annealing procedure.
I'd like to use an alternative function to be
minimized, say:

F'(x) = F(x) + k.G(x)

where F(x) is the original function, k is an arbitrary
constant and G(x) is another function which can be
calculated by an external program, given an
intermediate model PDB file. Is there a way to
accomplish this without having to edit Modeller's
code? If so, how could I write a script to do this?

Lucas



	



	
		
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