[phenixbb] "Use starting structure as reference" for homo-multimers

Oleg Sobolev osobolev at lbl.gov
Wed Feb 10 09:51:22 PST 2016


Hi Tristan,

Thank you for pointing this out, I will change this behavior.
In the mean time, as a work-around, you can use the input file as reference
model file and specify reference groups by hand to achieve the desired
behavior.

Best regards,
Oleg Sobolev.

On Tue, Feb 9, 2016 at 7:55 AM, Tristan Croll <tristan.croll at qut.edu.au>
wrote:

> Hi,
>
>
> I've noticed that when I choose the option to use the starting structure
> as a reference model and my structure is a homo-multimeric protein, Phenix
> uses only the first chain as the reference for all chains during
> refinement. Personally I'd much prefer it if instead it ran a true 1:1
> reference throughout the structure, since I tend to use this for final very
> fine-scale refinement of structures where I've already identified and
> modelled differences between NCS copies. Others' mileage may vary, of
> course.
>
>
> Best regards,
>
>
> Tristan
>
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