Re: [ccp4bb]: ARP/WARP increase dimensions in SR/ARPEX

[Victor Lamzin <Victor@embl-hamburg.de>]

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Dear Snell,

We have only seen this happening in a water search mode or if
you have a starting model and you ask for "keeping model geometry"
in a case that your model has an atom (or a residue) having 
XYZ coordinates very far from the centre of model (hundreds A away).
Then a formal rectangular extend-box within arp/warp becomes
indeed too large. If this was the case, please inspect your input
PDB file and remove / correct atoms with funny XYZ coordinates.

With best regards,
Victor

> Dear All,
> 
> I'm using ARP/WARP to solve a 0.95A resolution 100A cell edge structure.  I
> get beautiful maps when I do the automatic model building but when I include
> the sequence information for auto-docking I get the following error:
> 
> extend - box is too big
> Increase dimensions in SR/ARPEX
> 
> I'm using standard ccp4i default settings for it and apologize if this is a
> dum question but has anyone come across this error before and how do I get
> round it?  I would put the log file in but the error happened on my computer
> at home which is not networked yet and the computer in my lab still has to
> catch up - such is 2 years difference in technology!
> 
> Thanks for any help in advance,
> 
> Eddie Snell.
> 
> NASA Laborstory for Structural Biology
> Code SD46, NASA MSFC, Huntsville AL 35812.
> 
> Heisenburg was probably here.