Maximum likelihood during XPLOR refinement

Axel T. Brunger brunger at laplace.csb.yale.edu
Thu Nov 6 17:53:31 EST 1997


The paper did not mention X-PLOR.  We're working on a new
program that will become available in the future.  


Axel Brunger


Jim wrote:
> 
> I was reading from Brunger, Adams, Rice in Structure 5:325-336, 1997
> which presents a maximum likelihood target for the Exray energy function
> in X-PLOR and a comparison of its use in refinement to that of the
> least-squares residual Exray term.  Is X-PLOR now able to calculate
> the maximum likelihood variance from cross-validated sigmaa, Fo, and Fc?
> Or perhaps it must be computed elsewhere and entered into the residual
> target function as reflection weights?  Will someone that has
> implemented maximum likelihood in X-PLOR discuss how they did it or send
> me their *.inp file.  Thank you.
> 
> Jim Thompson
> thompson at dccc.med.umn.edu

-- 
=======================================================================
| Axel T. Brunger          Dept. Molecular Biophysics and Biochemistry|
| Professor/Investigator   Bass Center, 266 Whitney Avenue            |
| Office: 203-432-6143     Howard Hughes Medical Institute/Yale Univ. |
| FAX:    203-432-6946     New Haven, CT 06520, USA.                  |
| http://atb.csb.yale.edu                                             |
| mailto:brunger at laplace.csb.yale.edu                                 |
=======================================================================



More information about the X-plor mailing list