[phenixbb] is derivative data useful for looking for the missing part of the model?

Nathaniel Echols nechols at lbl.gov
Tue Jun 15 16:10:52 PDT 2010


On Tue, Jun 15, 2010 at 4:03 PM, Francis E Reyes <Francis.Reyes at colorado.edu
> wrote:

> Using the model to find the heavy atom sites and then calculating phases on
> those sites (without model) might help. ( I believe phenix will output a
> phase combined map (model + experimental phases)).
>

Correct, this is the default behavior if you provide a model directly to
AutoSol (or Phaser).  There is however a semi-automatic way to use the model
phases to find sites without biasing the experimental map; see the
documentation here:

https://www.phenix-online.org/version_docs/1.6.2-432/autosol.htm#anch126

(The AutoBuild step is optional - you could just look at the
density-modified map after AutoSol is done.)

-Nat
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