18 Jan
2006
18 Jan
'06
5:17 a.m.
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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