[phenixbb] obtaining f'/f'' from solved structures and comparison to a fluorescence scan

Ralf W. Grosse-Kunstleve rwgk at yahoo.com
Wed Apr 20 11:02:26 PDT 2011


Hi Francis,

phenix.refine writes the refined f'/f" to the output .def file. So you could just run a few macro cycles of refinement for each of your models and compare the refined f'/f" in the .def files.

Ralf



>________________________________
>From: Francis E Reyes <Francis.Reyes at colorado.edu>
>To: PHENIX user mailing list <phenixbb at phenix-online.org>
>Sent: Wednesday, April 20, 2011 8:03 AM
>Subject: Re: [phenixbb] obtaining f'/f'' from solved structures and comparison to a fluorescence scan
>
>Hi phenixer's
>
>I'm in need of reliable f'/f'' for my heavy atom  (that isn't Sasaki tables which I believe is for free, unbound atoms). I've used group_anomalous in phenix.refine before so I'm sure a phenix utility is capable of extracting it.
>
>I wanted to if it's possible to extract it from several solved structures (I have the DANO/SIGDANO, F(+)/F(-), or if needed the original I(+)/I(-))
>
>I'm curious to see if there's wide variation and whether it'd be as reliable (or even better) than actually taking a fluorescence scan (and of course use the values for my current phasing challenge as a starting point).
>
>F
>
>
>
>
>
>---------------------------------------------
>Francis E. Reyes M.Sc.
>215 UCB
>University of Colorado at Boulder
>
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>
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