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Would an omit map calculated after removing the ssDNA from the model and then gently randomizing the remaining coodinates using the NOISE option in pdbset (possibly not in the GUI version)

NOISE [maximum_shift] [subkeys]

Introduce random shifts into atom positions in orthogonal coordinates.

maximum_shift maximum shift (Angs) 

defaults to 0.2 Angs, fails if greater than 0.5 Angs


be a possible alternative to a simulated annealing technique? Would it not be similarly effective at removing any memory bias in the remaining coodinates, and very easy to do?

Having said that, it is usually simplest to do what the referee requests, if at all possible.  And if your DNA isn't there in the omit map, then you have no reason to suggest that it is there at all.

best wishes
Pete



On 4 Nov 2013, at 18:02, Mark Brooks <[log in to unmask]> wrote:

Maybe try CNS or SFCheck:
 
To improve Phenix maps, maybe try increasing the number of boxes (the parameter IIRC "n_box_target=" )
 
In CNS, you can decrease the starting temperature in the annealing section, to reduce the 'violence' of the simulated annealing:
----------------------------------->8-------------------------------Snip------------------------------8<------------------------------
{* starting temperature *}
{===>} temperature=500;
----------------------------------->8-------------------------------Snip------------------------------8<------------------------------
 
As said elsewhere, if your map is still poor, maybe it's trying to tell you something...
 
Mark
 

 
 
 


On 4 November 2013 06:36, dengzq1987 <[log in to unmask]> wrote:
Dear all,
 
 Recently, I received the comments from referees, they asked for the SA-omit map of the ssDNA of our protein-DNA complex. They said that simulated annealing omit map better than a biased 2Fo-Fc. The ssDNA consists of seven thymidine nucleotide. Our data diffracted to 2.65Abut the data quality is not good and twin. We tried to produce SA-omit map using phenix. The map is really bad. Does anyone have suggestion to refine the map?  Thank you!
 
 
Bests,
zq Deng
2013-11-04

dengzq1987


Prof Peter Artymiuk
Krebs Institute
Department of Molecular Biology & Biotechnology
University of Sheffield
Sheffield
S10 2TN
ENGLAND