[buster-discuss] Referencing a structure during refinemnt

[Oliver Smart]

On Fri, 12 Sep 2014, Donald Damian Raymond wrote:

> I'm currently using buster to refine a low-resolution (3.8A) complex 
> structure. I also have a high-resolution (1.9A) structure of one of the 
> subunits of the complex. It is possible for buster to use the high-res 
> structure as a reference during refinement of the low-res 
> structure--assuming only minor conformational changes?
> Thanks in advance.
>

Donald,

What you want are LSSR "target" restraints that are designed for exactly 
this case. Please see:

(A) Paper on it:
http://dx.doi.org/10.1107%2FS0907444911056058 (open access)

(B) A tutorial explaining how to use it:
https://www.globalphasing.com/buster/wiki/index.cgi?AutoBusterExample2e4ytarget

(C) the documentation
https://www.globalphasing.com/buster/manual/gelly/manual/gelly1A.html#target

Hope this helps please email this list or buster-develop for anything 
unclear or further advice.

Regards,

Oliver Smart (for buster-develop)

| Dr Oliver Smart                             |
| Global Phasing Ltd., Cambridge UK           |
| http://www.globalphasing.com/people/osmart/ |