[phenixbb] atom selection in phenix.pdbtools
Ed Pozharski
epozh001 at umaryland.edu
Wed Sep 1 18:49:23 PDT 2010
You can just do this
grep 'A 400' structure.pdb | grep -v REMARK | cut -c 61-66 | awk '{s+=
$1} END {print s/NR}'
On Wed, 2010-09-01 at 15:02 -0700, Michael Hothorn wrote:
> Hi,
>
> I want to calculate the mean b-value for all atoms of a specific ligand
> in my structure. I tried:
>
> phenix.pdbtools --show-adp-statistic model.pdb keep="chain A and
> residue 400"
>
> , but it still prints out all b-values including solvent etc.
>
> any ideas?
>
> thanks
> Michael
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