[phenixbb] maps for PDB without SF's

Pavel Afonine pafonine at lbl.gov
Fri Aug 15 13:24:16 PDT 2014


We do not have a user-exposed tool to compute exact map on the grid 
(using n-gaussian approximation, that is the default in Phenix). However 
you can calculate a Fourier map coefficients of very high resolution 
(say 0.5-1A) and then convert it into actual map using phenix.mtz2map; 
this should be a good approximation.

Pavel



On 8/15/14, 1:19 PM, PC wrote:
> I want  map for this PDB which does not have the SF.
>
> So what should I do?
>
>     -----Original Message-----
>     *From:* pafonine at lbl.gov
>     *Sent:* Fri, 15 Aug 2014 13:09:51 -0700
>     *To:* phenixbb at phenix-online.org
>     *Subject:* Re: [phenixbb] maps for PDB without SF's
>
>     Hello PC,
>
>     what you get is not the electron density map but its Fourier image
>     of finite resolution. This is where the noise comes from. So...
>     I'm puzzled what surprises you (or what is your question)?
>
>     Pavel
>
>     On 8/15/14, 12:59 PM, PC wrote:
>>     Hi,
>>
>>     I wanted to generate a map using calculate f(model) with fake P1
>>     symmetry.
>>
>>     The output is very noisy (blurred) when I open it in COOT.
>>
>>     (NO there are no structure factors for this PDB entry).
>>
>>     Thanks.
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