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

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