On 14/10/2015 16:29, Murpholino Peligro wrote:
> Is there a way to load a pdb and a difference map (ccp4 format) in
> coot, with a bash script, and then get the "validate->difference map
> peak" analysis?
>
>
> I was thinking in doing a small script in bash, because I am doing it
> manually and there are a lot of pdbs and maps to check...
>
>
There is no API which returns the results (as there should be) but you
can run coot in a script that loads the map and model and calls the
function difference-map-peaks. You will then have to "grep" the log
file looking for lines that contain "xyz = " after " Found these peak
positions:"
Hideous, but it should work.
Paul.
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