[phenixbb] How to generate an anomalous map in PHENIX?

Pavel Afonine pafonine at lbl.gov
Tue Jun 24 20:04:10 PDT 2008

Hi Carsten,

it is most likely a bug in phenix.refine. We need to fix it.

On 6/17/2008 9:52 AM, Schubert, Carsten [PRDUS] wrote:
> Hi,
> I am trying to make an anomalous map in the latest phenix. After 
> refinement of a medium resolution structure (1.8A) with anomalous data 
> (and signal) I used the ANOM and PHANOM columns in the map_coeffs.mtz 
> file to generate a map. The map was created either in coot or via fft, 
> but shows no anomalous peaks for a present Cl1 nor for SS bonds.  It 
> rather mimics a noisy protein map. Generation of an anomalous map in 
> CNX using the same data (FOBS(+/-) and HL coeffs(calc) ) produces a 
> nice map with the expected peaks. Am I misunderstanding the purpose of 
> the ANOM/PHANOM columns or is this feature not implemented yet.
> Cheers
>         Carsten
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