[phenixbb] fobs-fobs difference electron density maps

[rpai at berkeley.edu]

HI Pavel,

I was wondering if you could add something to the fobs-fobs and create a
special output script.

If you look at the cns output script you will find that there is some
columns/Table that indicates how similar the structure factors between the
two data sets are.

I believe that you can use this to judge whether the two data sets can
really be compared to each other.

thanks
Raj


> Hi Charlie,
>
> there is no specific tool in PHENIX to do so. However, I remember I
> wrote such script using PHENIX components for someone a while ago...
>
> Here are the options:
>
> - I can just sent you that script, where you will have to put in your
> file names, Fobs labels, etc, and run it as:
> phenix.python script.py
>
> - I can add this option to PHENIX, so it will be something like:
> "phenix.fo_minus_fo_map". In this case it will take a day or two before
> it appears in a nightly build and you can download the updated version
> of PHENIX where it will be available.
>
> - You can send me the data and I compute this map for you. I think I
> will add this option to PHENIX anyway.
>
> Once it's available, it would be helpful if you me some feedback, like
> tell if it works as expected, etc.
>
> Pavel.
>
>
>
> On 4/27/09 6:15 PM, chandra bose wrote:
>> Hi,
>>
>> I was wondering how to make fobs-fobs difference electron density maps
>> with phenix using data sets from two crystals.
>> I know cns has a script for this...
>>
>> thanks
>> Charlie
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