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Re: [modeller_usage] Error with the Mutate script
- To: Arjun Ray <rayarjun AT gmail.com>
- Subject: Re: [modeller_usage] Error with the Mutate script
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Wed, 08 May 2013 08:11:07 -0700
- Cc: modeller_usage@listsrv.ucsf.edu
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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