weighting

Axel T. Brunger brunger at LAPLACE.CSB.YALE.EDU
Fri Jan 19 11:03:18 EST 1996


Please consult page 172 of the 3.1 X-PLOR manual.  This illustrates
how to specify a general weighting scheme.

  Axel Brunger


>
> 	Hello All,
>
> 	After the Chester CCP4 meeting I was encouraged especially by
>       the lecture of Dave Smith to try a 2-line weighting scheme in
>       X-PLOR.  However, I don't recall seeing how to do this and my
>       knowledge of X-PLOR syntax is not all it could be.
>
> 	So, the question is, how _do_ I set up a 2-line weighting
>       scheme?
>
> 	What I would really like is a jiffy.perl which parsed up the
>       output of (presumably) sfall/rstats to find the appropriate
>       co-efficients and then wrote them out in X-PLOR format.  I
>       suspect that this will be useful not only to me but to the CCP4
>       community.  Has this been done?  Dave?  If not I will give it a
>       bash, perhaps.
>
> 	Please mail, I don't "do" this group regularly (in fact, DS
>       only pointed me to it's existence 5 minutes ago).
>




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