[buster-discuss] OMIT maps in BUSTER
Clemens Vonrhein
vonrhein at globalphasing.com
Wed Nov 30 22:02:06 CET 2016
Dear Guillermo,
On Mon, Sep 26, 2016 at 10:08:44AM +0000, Guillermo Montoya wrote:
> I´ve been searching in the web docs how to prepare an OMIT map in BUSTER
> but I could not find the command
What kind of OMIT map are you referring to? Of course, you can just
omit a part of the model and re-run BUSTER in order to get a map.
If you are thinking of either a composite omit map or some kind of
e.g. simulated-annealing omit map, there is no dedicated feature in
BUSTER for doing this.
However, we never found it a feature we were desperately missing:
BUSTER maps seem to have very little model bias (we could show dozens
of examples where model errors show up immediately in a BUSTER map -
even before any refinement). You could maybe test this yourself by
mis-building a small part of your model on purpose and see what
happens during refinement with BUSTER.
Cheers
Clemens
PS: if that is triggered by a request from a referee, it might be that
someone is still thinking of the good (?) old X-PLOR/PROLSQ days
when everyone had massive model bias issues with our least-square
formulation. Not sure if composite/SA-OMIT maps are any longer
useful or needed to prove a point (but: old habits die hard). I
might be wrong though.
--
*--------------------------------------------------------------
* Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com
* Global Phasing Ltd., Sheraton House, Castle Park
* Cambridge CB3 0AX, UK www.globalphasing.com
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