Re: [ccp4bb]: output of refined atomic peak heights?

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Paula Lario wrote:
> 
> Hi All,
> 
> I was wondering if there is any program out there that will calculate
> the
> electron density peak heights (e/A^3) in a refined electron density
> map
> at each atomic position and provide an output list of
> each atom and its associated peak height?
> 
> Cheers Paula
> 
> 
> --
> ~~~~~~~~~~~~~~~~~~~~~~~~~~
> Paula Lario
> McGill University / UCSC
> Nothing is ours, but time.
> 
> 
Hmmm - do you just want peak height or the integrated volume - more
useful since peak height is affected by temperature factor.

 the mapcorrelation script is quite useful; it gives the correlation
between the expected atomic density over a volume; between the density
generated from the coordinates using their B factors, and between any
map you are interested in.

 Eleanor