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

[Edward Berry <eaberry@lbl.gov>]

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Paula Lario wrote:

> 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?
> 

Mapman does this with the command: 

  PEEK VALUE mapname pdbfile.pdb pkhght.pdb int

where mapname is a map already loaded into mapman,
pdbfile contains all the atoms you want to check,
and pkhght.pdb will be created with the same atoms but with
peak height in the B-factor column.
"int" is one of available options concerning 
interpolation/smoothing/peak-picking, I think.

If the server is up you can see the manual at:
http://alpha2.bmc.uu.se/~gerard/manuals/gerard_manuals.html#S16
Ed