[phenixbb] phenix.pdbtools model_statics=true
t.maehigashi at emory.edu
Wed Mar 26 13:56:36 PDT 2014
What would be the best way to define the "selection" to show average B factors using phenix.pdbtools from command line?
I've tried several ways using something like...
phenix.pdbtools XXXXX.pdb stop_for_unknown=false model_statistics=true selections="chain QA or chain RA"
However, the output always contain the standard/default "ADP statistics" table only (not for the selection I specified). Yes, I'm aware of the GUI option (under other tools) and it works great. However, I'm trying to compute average b for 9 coordinates under 4 separate categories (protein, RNA, ligands... and such), and I think it'll be a lot easier from the command line (using some quick script, for example).
Any input will be appreciated!
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