For example,

this will show you complete statistics about B-factors:

phenix.pbdtools your_model.pdb --show-adp-statistics

this will show you complete statistics about stereochemistry:

phenix.pbdtools your_model.pdb --show-geometry-statistics

For more information:
http://www.phenix-online.org/

or ask me directly.

Cheers,
Pavel.




On 6/4/2008 12:40 PM, xu zhen wrote:
> Hi, everyone,
>
> I am preparing the table of data collection and refinement statics.  In this 
> table, I need to list the average B factor of protein, ligand and water 
> seperately, can you tell me how to calculate thoes numbers? 
>
> Zhen
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