[phenixbb] kickmaps

Pavel Afonine pafonine at lbl.gov
Fri Nov 25 19:41:21 PST 2016


Hi Veronica,

sounds like you collected plenty of evidence for that loop! By 
construction of FEM you can use any contouring level.

Pavel

On 11/25/16 03:24, Veronica Fiorentino wrote:
>> Dusan's "kick maps" idea has evolved into something better (we hope) that we
>> call FEM (Feature Enhanced Maps)[*].
>>
>> Reading is available here:
>>
>> Let us know should you have any questions or problems!
> Thanks a lot. I did use FEM and they look good.
> My real aim: In my structure there is a loop that looks complteley
> different to homologus published PDB structures. Can I use a FEM (2mFo
> -Fc) and show the density at  2Sigma to prove that my loop is distinct
> and real (away from model bias). I also made a
> AutoBuild-Iterative-Buiild-Composite-Omit-Map that produced a
> resolve-composite-map.mtz (shows same loop density). What sigma level
> should I display these maps in a paper?
>
> I did look at pavel_maps.PDF but confused as there are so many
> numbers. Thanks a lot.
>
> -V
>
>> Pavel
>>
>> [*] This is still experimental and ongoing. Significant improvements to this
>> tool are envisaged in future.
>>
>>
>> On 11/24/16 09:29, Veronica Fiorentino wrote:
>>> Dear all,
>>> I am using the latest Phenix; Calculate Maps does not seem to have an
>>> option to for kickmaps as given in the
>>> https://www.phenix-online.org/documentation/reference/create_maps.html
>>> I have made a screenshot:
>>> http://imgur.com/a/upgqy
>>>
>>> Am I missing something obvious? Alternately, If anyone can share a
>>> script I would prefer it!
>>>
>>> many thanks
>>> Veronica
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>>
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