in ccp4, "baverage" does the job.
Mark
Mark J. van Raaij
Dpto de Bioquímica, Facultad de Farmacia
Universidad de Santiago
15782 Santiago de Compostela
Spain
http://web.usc.es/~vanraaij/
On 4 Jun 2008, at 21:40, xu zhen wrote:
Hi, everyone,
I am preparing the table of data collection and ref
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
> __
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/
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
_
