Re: [phenixbb] atom selection in phenix.pdbtools

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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb