[ccp4bb] Map averaging question

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Bad geometry for alt. conformation refined in Refmac5
From: Kay Diederichs Kay {- dot -} Diederichs {- at -} UNI-KONSTANZ {- dot -} DE
Date: 2009-12-04

Next message:
Subject: Re: Map averaging question
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2009-12-04

Subject: Map averaging question
From: Simon Kolstoe s {- dot -} kolstoe {- at -} UCL {- dot -} AC {- dot -} UK
Date: 2009-12-04

Hi,

I have 20 identical monomers in my asu of a 2.5A structure. We have
previously model built all twenty monomers and used strict NCS in the
refinement, however I would like to compare this with the maps generated by
building one monomer into an averaged map and then replicating it nineteen
times for the refinement. On a previous structure with just two monomers I
did this to good effect using coot to make my average map and then pymol to
replicate the second monomer, however with twenty monomers things are a bit
more complicated. So:

1. Can the map averaging function in coot cope with averaging across
twenty monomers or is there another better program to use?

2. What program can I use to generate the nineteen NCS symmetry
operators and then apply them to the monomer I am building? I'm guessing
I'll need a script to do this - is there a webpage/tutorial that explains
how to do what I imagine must be a fairly common procedure?

Thanks,

Simon

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Bad geometry for alt. conformation refined in Refmac5
From: Kay Diederichs Kay {- dot -} Diederichs {- at -} UNI-KONSTANZ {- dot -} DE
Date: 2009-12-04

Next message:
Subject: Re: Map averaging question
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2009-12-04