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

Tue Jun 17 11:41:26 PDT 2008

Hi Ralf,

yes thats the map I'd wanted to make. I assume that these should be map coefficients with the phases already shifted by 90 degs, so a simple FFT should produce the map? 
If you guys could recheck the procedure and let me know if it works in your hands that would be great. A regular lysozyme dataset with anomalous differences should be enough to test this.

Let me know if you need a test set, if not I may either have something here or could generate it over night

Cheers,

	Carsten

> -----Original Message-----
> From: phenixbb-bounces at phenix-online.org
> [mailto:phenixbb-bounces at phenix-online.org]On Behalf Of Ralf W.
> Grosse-Kunstleve
> Sent: Tuesday, June 17, 2008 2:27 PM
> To: phenixbb at phenix-online.org
> Subject: Re: [phenixbb] How to generate an anomalous map in PHENIX?
> 
> 
> Hi Carsten,
> 
> > Am I misunderstanding the purpose of the ANOM/PHANOM
> > columns or is this feature not implemented yet.
> 
> This is for an anomalous difference map, i.e. (F(obs)+)-(F(obs)-) with
> F(calc) phases, weighted with FOM (refinement). Is this what you want?
> 
> This is a fairly new feature. If the anomalous difference map doesn't
> show peaks where you expect them we'd have to check the algorithm
> generating the coefficients.
> 
> Ralf
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> 