[phenixbb] "FOM" or HL coeffs from model?

Pavel Afonine pafonine at lbl.gov
Fri Apr 1 16:20:20 PDT 2011

Hi Phoebe,

now you should be able to do it using phenix.reciprocal_space_arrays 
command line tool once the next PHENIX nightly build gets available.


On 3/21/11 2:23 PM, Phoebe Rice wrote:
> How can I get phenix to spit out not just PhiModel but an estimated FOM or fake HL coefficients (without experimental phases - just based on how badly my model agrees with FOBS)?  And I'd like the weights in their own personal mtz column(s), not just precombined in a "weighted phi" column.
> In case anybody cares why, I'd like to use solvent massaging and domain-wise averaging to remove bias from a low-resolution model-phased map, preferably with DM, unless anybody has a better suggestion. I did rigid body, TLS, etc on the model in phenix, so it seems like phenix has already calculated all the info I want if I could only squeeze it out.
> thanks, Phoebe
> =====================================
> Phoebe A. Rice
> Dept. of Biochemistry&  Molecular Biology
> The University of Chicago
> phone 773 834 1723
> http://bmb.bsd.uchicago.edu/Faculty_and_Research/01_Faculty/01_Faculty_Alphabetically.php?faculty_id=123
> http://www.rsc.org/shop/books/2008/9780854042722.asp
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