Re: [phenixbb] fobs-fobs difference electron density maps

Hi Pavel, I'd like to go with option 2. I am not in a hurry, but sometime next week I would like to use the update if possible. thanks! Raj On Tue, Apr 28, 2009 at 1:44 AM, Stephen Graham wrote:

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 :

...

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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