Re: [phenixbb] atom selection in phenix.pdbtools

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