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Re: [ccp4bb]: Contact BRICK EXCEEDED



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Jan

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
bricks.

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

Peter.

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
> 
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