[phenixbb] HB_score in Ligand Identification

Brad C. Bennett bcb3b at cms.mail.virginia.edu
Thu Aug 23 12:07:30 PDT 2012

Hello to all-
Where can I find a description of what "HB_score" is and how it is calculated in the Ligand Identification program in Phenix? I'm assuming this is a metric for hydrogen bonding capability/propensity of a fit ligand based on distance and angle to model atoms. I have an output rank list of the top 20 ligand fits, ranked by Z-score. The HB_score is all over the place: low = -0.59, high = 77.96, most are between 0-10. I think I understand the correlation coefficient and Z-score but how does the HB_score fit in with these?

I can't find this in the documentation or in the Terwilliger et al. (2007) Acta D reference. Somehow I've "lost" the log file, so maybe the information is in there.

Thanks in advance!

Brad C. Bennett
Research Associate- Mark Yeager Lab
University of Virginia
Molecular Physiology and Biological Physics
320 Snyder Building    
480 Ray C. Hunt Drive
Charlottesville, VA 22908
Email: bcb3b at virginia.edu
Lab phone: 434-243-2520

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