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Re: [ccp4bb]: R.S. A.U. limits

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For information, the documentation for the CCP4 symmetry s/r library
SYMLIB ($CHTML/symlib.html on your local system) has an appendix with
the asu limits for both real and reciprocal space (go and have a look!)
It might be useful if Tassos' list of Arp asu's was carried in the Arp

The real space limits in the SYMLIB document are those which will be
used by any program which calls the CCP4 library routine SETLIM
(reciprocal space limits are from PGNLAU) - unfortunately not all CCP4
programs use this routine, which is where the inconsistencies start to
arise within the suite. 

I'm all for Kevin's methods for dealing with programmers who don't use
libraries (btw I hope his reference to "superior firepower" actually
meant bigger and better computers...). In the meantime but it would be
useful for us if people could highlight the specific inconsistencies so
that we could start to address the problem at source. 

Apologies in the mean time for any confusion,
Best wishes


On Tue, 28 Nov 2000, Bernhard Rupp wrote:

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> Dear All :
> Jesus Christ I am sorry I stirred up emotions that high
> with my question.....
> Thanks for the tips and please forgive me for 
> using EXTEND....I repent and I changed all to MAPMASK.
> Adding another variable 'arplim' to the project and 
> resectioning the map (suggested by both Eleanor and 
> Tassos) before ARP fixed my problem.
> However, the heated discussion about inconsistent use 
> of RS AUs warrants some attention. Would an improved CCP4 
> SG/AU summary page including the au lists (like Tassos sent)
> for ALL CCP4 programs and highlighting the traps and 
> workarounds wrt the space group settings be considered?  
> Running until crash and post-mortem conceiving a cludge from
> consulting the error logs is quite doable on an individual 
> basis, but for highly automated routine 
> tasks it makes scripting difficult. Despite the convenience
> of complete packages like arp 5.1 - there are
> cases when the manual scripting is still needed for various
> reasons. 
> Thx again, BR
> -----------------------------------------------------------------
> Experience : Mental Phase Bias
> -----------------------------------------------------------------
> Dr. Bernhard Rupp
> Macromolecular Crystallography               Phone (925) 423-3273
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Peter J Briggs, pjx@dl.ac.uk   Tel: +44 1925 603455
CCP4,         ccp4@ccp4.ac.uk  Fax: +44 1925 603124
Daresbury Laboratory, Daresbury, Warrington WA4 4AD