[buster-discuss] Buster and CCP4-4.2.2

[Clemens Vonrhein]

Hi Craig,

uncortunately this will most likely not work: it's not only the
binaries but also the MTZ file format. So a MTZ file produced with
4.2.2 will work in CCP4 4.2.2 and 5.0.2+. But if you use CCP4 6.0.1
for other things your MTZ file(s) will have a 5.0.2+ formatted header
(i.e. 'P 21 21 21' instead of P212121). And MTZDUMP from 4.2.2 can't
handle that ...

But you might want to try you idea nevertheless. But on top you'll
need to ahve 4.2.2-formated MTZ files. The easiest is to do the
following while in a 4.2.2 environment:

  % mtz2mtz.sh current.mtz current_422.mtz

I attach the little script for you ... (it can also be used to convert
a 4.2.2-formatted MTZ file into a 5.0.2+ formatted one: it all depends
on the current environment).

Please let us know how it goes ...

Cheers

Clemens


On Fri, Oct 13, 2006 at 09:22:17AM +1000, Craig Morton wrote:
> 
> >it is actually nothing in the CCP4 binaries that are needed. It is the
> >change in the MTZ file header between 4.2.2 and 5.0 that confused
> >BUSTER: P212121 became 'P 21 21 21'.
> >
> >And these spaces and quotes is making BUSTER misbehave (i.e. it can't
> >extract the spacegroup from an MTZ file when running MTZDUMP on it).
> 
> Ah-ha. So if I trick BUSTER into using the ccp4-4.2.2 version of MTZDUMP 
> but leave the rest of the distribution as ccp4-6.0.1 then it will work?
> 
> I shall give it a try and see what happens.
> 
> >We have (obviously) a version that is using happily CCP4 5.0.2 or
> >6.0.1 here -- a release still needs some work though ...
> 
> Do keep us informed!
> 
> Cheers,
> 
> Craig.
> 
> >On Wed, Oct 11, 2006 at 12:32:26PM +1000, Craig Morton wrote:
> >
> >>Having had to reinstall ccp4-4.2.2 to get Buster working, I was 
> >>wondering if someone can list *exactly* which bits of ccp4-4.2.2 are 
> >>critical to keeping Buster happy.
> >>
> >>As I am already keeping ccp4-5 and ccp4-6 running in parallel for other 
> >>reasons, I'd like to cut back the ccp4-4.2.2 installation to just those 
> >>essential files while having Buster locate the rest of the libraries 
> >>etc. it needs in our more current ccp4-6.0.1 installation. The saving on 
> >>disk space in not having 3 concurrent ccp4 installations will be 
> >>significant!
> >>
> >>Cheers,
> >>
> >>Craig.
> 
> -- 
> Dr Craig Morton			Ph: +61 3 9288 2480
> Senior Associate		Fx: +61 3 9416 2676
> St Vincent's Institute		www.svi.edu.au
> 

-- 

***************************************************************
* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
*
*  Global Phasing Ltd.
*  Sheraton House, Castle Park 
*  Cambridge CB3 0AX, UK
*--------------------------------------------------------------
* BUSTER Development Group      (http://www.globalphasing.com)
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