[phenixbb] Turing off Auto-Modify initial isotropic ADP

Pavel Afonine pafonine at lbl.gov
Thu Aug 30 00:08:04 PDT 2007

Hi James,

yes you can turn it off:


I will fix it for the case of zero macro-cycles. The fix will be 
available in the next PHENIX and CCI Apps.


James Fraser wrote:
> I'm trying to do an Fcalc with "main.number_of_macro_cycles=0
> main.bulk_solvent_and_scale=false export_final_f_model=mtz ", but the
> b-factors get randomized before the 0th cycle of refinement (see
> excerpt from log below).
> Is there anyway to turn this off?
> Thanks,
> jf
> <<LOG FILE>>
>              ----------Auto-Modify initial isotropic ADP----------
> Randomizing
> |-ADP statistics (Wilson B = -4.823)------------------------------------------|
> ....

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