[phenixbb] fobs-fobs difference electron density maps

[Stephen Graham]

Hi Pavel,

Can I please cast my vote for option 2 ("add this option to PHENIX").
This is something I find myself wanting to do fairly often (it
accelerates the disappointment of finding out your active site is
empty *again* : )

Cheers,

Stephen

2009/4/28 Pavel Afonine <PAfonine at lbl.gov>:
> 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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-- 
Dr Stephen Graham
Division of Structural Biology
Wellcome Trust Centre for Human Genetics
Roosevelt Drive
Oxford OX3 7BN
United Kingdom
Phone: +44 1865 287 549