Re: [modeller_usage] selection.mutate then optimize Vs. homology modeling for point mutations

[Modeller Caretaker <>]

On 11/15/19 8:56 AM, Ammar, Ammar (Stud. SCI) wrote:
> Any idea which method [mutate model vs. comparative modeling] is
> preferable considering that both can be performed using Modeller to
> achieve the same goal here?

The mutate-model script only optimizes the coordinates of the single 
residue that is mutated. The regular comparative modeling script will 
optimize the coordinates of the entire protein. So it depends what you 
want to achieve here.

Mutate-model will be roughly equivalent to comparative modeling with 
everything but that one residue held fixed, but it will be more 
efficient since it doesn't bother to build the template-derived restraints.

	Ben Webb, Modeller Caretaker
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