[phenixbb] fobs-fobs difference electron density maps

chandra bose cbose0001 at gmail.com
Tue Apr 28 18:48:34 PDT 2009


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 <stepheng at strubi.ox.ac.uk>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 <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
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