[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ccp4bb]: Contact BRICK EXCEEDED

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***


CONTACT uses a "bricking" algorithm (a sort of hash table) to find
neighbouring atoms more quickly, this involves dividing space into bins
or "bricks" and then assigning each atom in the pdb file to one of these

The code is warning you that it thinks there are an unrealistic number
of atoms in the physical volume represented by one of these bricks.
According to the CONTACT code, these bricks are 6x6x6 A^3 in volume, so
it does seem unreasonable to have more than 50 atoms in one brick.

One explanation might be, if you are entering symmetry operations then
check that these are correct - it might be that you have already
assigned symmetry related atoms in your input file, and then requested
them again in the CONTACT script.

There are other possibilities - please contact (no pun intended)
ccp4@ccp4.ac.uk if you continue having problems.

Best wishes


On Thu, 14 Jun 2001, Jan Dohnalek wrote:

> Hi,
> calculating contacts with CCP4 contact, having about 5000 atoms in the
> pdb file, it complains:
> BRICK EXCEEDED over 50 times.
> Anyone knows what to do?
> Jan
> *******************************************************************
> "He is not the slave of the stars but their Maker. Is it not said
> in all the old stories that He is not a tame lion."
>                                         C.S.Lewis, The Last Battle
> *******************************************************************
>  Jan Dohnalek  (Mr.)                         
>  Institute of Macromolecular Chemistry        
>  Heyrovskeho nam. 2, 162 06 Praha 6           
>  Czech Republic (search in the middle of Europe)  
>  Tel. : ++4202 20403205                           
>  Fax:  ++4202 35357981                             
>  E-mail: dohnalek@imc.cas.cz                     
> *******************************************************************

Peter J Briggs, pjx@ccp4.ac.uk   Tel: +44 1925 603826
CCP4,           ccp4@ccp4.ac.uk  Fax: +44 1925 603825
Daresbury Laboratory, Daresbury, Warrington   WA4 4AD