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Re: [modeller_usage] Error with the Mutate script



On 5/8/13 2:17 AM, Arjun Ray wrote:
I double checked and added again. Getting the same error.

As I said, Python is sensitive to indentation - and the indentation in your script is all over the place. Compare with the original script in the wiki at http://salilab.org/modeller/wiki/Mutate%20model

#molecular dynamics
     def refine(atmsel):

For example, both of these two lines should be left-aligned (no space at the start).

             md = molecular_dynamics(cap_atom_shift=0.39, md_time_step=4.0,
                                                 md_return='FINAL')
                 init_vel = True

Another example: "md =" and "init_vel =" should line up.

	Ben Webb, Modeller Caretaker
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