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Re: [ccp4bb] Missing reflections
 

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CCP4bb <-- 2008 <-- March 2008 <-- 12 March 2008
Previous message:
Subject: Re: Missing reflections
From: Simon Kolstoe s {- dot -} kolstoe {- at -} UCL {- dot -} AC {- dot -} UK
Date: 2008-03-12 		Next message:
Subject: ecoli outer membrane / yeast cell wall permeability
From: Jacob Keller j-keller2 {- at -} MD {- dot -} NORTHWESTERN {- dot -} EDU
Date: 2008-03-12


Subject: Re: Missing reflections
From: Kevin Cowtan cowtan {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-03-12
Refmac (and dm and pirate and probably some other programs like phaser
too) will only restore missing reflections if there are entries (albeit
bblank ones) for those reflections in the MTZ file.

So it's not a matter of running uniquify before refmac, its a matter of
running uniquify before you run *anything* - i,e. when you first create
an mtz file.

If you are importing from another format using the 'Convert to MTZ' task
in the GUI, this will be done for you unless you specifically turn it
off. However it looks as though 'Truncate' task doesn't seem to do it by
default - you have to click the button if you came in by this route.

Simon Kolstoe wrote:
> Dear CCP4bb,
>
> I was looking through the REFMAC manual today and found the following
> advice:
>
> "Completing the data to include all possible hkls. Should do this after
> data reduction, and certainly before using REFMAC. This is now done with
> the uniqueify script. It is best done using CCP4i."
>
> http://www.ccp4.ac.uk/dist/html/refmac5/usage/examples.html#exam0
>
> Is it a good idea to always run uniqueify on data before running REFMAC
> - what about other refinement programs such as SHELX, CNS or phenix.refine?
>
> Simon
>

CCP4bb navigation

CCP4bb <-- 2008 <-- March 2008 <-- 12 March 2008
Previous message:
Subject: Re: Missing reflections
From: Simon Kolstoe s {- dot -} kolstoe {- at -} UCL {- dot -} AC {- dot -} UK
Date: 2008-03-12 		Next message:
Subject: ecoli outer membrane / yeast cell wall permeability
From: Jacob Keller j-keller2 {- at -} MD {- dot -} NORTHWESTERN {- dot -} EDU
Date: 2008-03-12


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