[phenixbb] geometry in phenix.refine

Pavel Afonine PAfonine at lbl.gov
Thu Feb 21 15:01:17 PST 2008


> Is it possible that phenix.pdbtools ignored the H atoms when  
> calculating the geometry statistics?
>   

Currently no. But you can easily do it in two steps:

1) phenix.pdbtools model.pdb remove="element H" 
output.file_name=model_noH.pdb

2) phenix.pdbtools model_noH.pdb --show-geometry-statistics

Pavel.




More information about the phenixbb mailing list