[phenixbb] atom selection in phenix.pdbtools

[Pavel Afonine]

  Hi Michael,

this will be available as part of phenix.model_vs_data output in one of 
the next PHENIX versions. Currently you can do it as following:

step 1:

phenix.pdbtools model.pdb keep="chain A and residue 400"

step 2:

phenix.pdbtools --show-adp-statistic model_chainA_residue400.pdb

Pavel.


On 9/1/10 3:02 PM, 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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