[ccp4bb]: average coordinates

["Harry M. Greenblatt" <harry.greenblatt@weizmann.ac.il>]

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BS"D



> No follow-up answers were posted to the CCP4BB, nor does anything useful
> come from a web search.

  Well, I wrote back to Diane, but I don't remember if I posted it to
the web.  Anyhow, you do not want an averaged structure.  It will have
lousy geometry (unless all the structures are very, very close to each
other), and an R-factor higher than any single structure. 
> 
> In order to use the best 4 structures (out of 10) listed in the end of
> the (CNS) optimize_average.list  file to obtain an SA omit map, should a
> single composite PDB be constructed (as suggested in the above posting)
> or should the best 4 (in this case) structures be input to CNS
> composite_omit_map.inp ?
> 

  The latter is what you are supposed to do.  CNS takes the n structures
you input and calculates the average structure factors, which,
supposedly, are more reliable.

Harry

-- 
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  Harry M. Greenblatt           | Phone: 972-8-934-3625
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  Dept. of Structural Biology   |
  Weizmann Institute of Science |
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