Dear Christoph,
This really is equivalent. Both give a single restraint, and both express
that either 37HZ3 or 38HE# is close to 30HA. If they are not equivalent
they damn well ought to be.
Yours,
Rasmus
---------------------------------------------------------------------------
Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Tue, 11 Apr 2006, Christoph Brockmann wrote:
> A probably related issue: Is this really equivalent?
>
> #### ARIA2 export:
> assign ( resid 37 and name HZ3
> or resid 38 and name HE#
> )
> ( resid 30 and name HA
> ) 4.0 4.0 0.0 volume=1.743 peak=16 ppm1=6.852 ppm2=6.038
>
> #### CNS export via format converter:
> assi
> ( resid 38 and name HE# )
> (( resid 30 and name HA ))
> 4.000 2.200 0.000
> or
> (( resid 37 and name HZ3 ))
> (( resid 30 and name HA ))
>
> I mean, besides the lower bounds that the format converter places for
> whatever reasons. If there is a difference, this might further
> complicate the violation analysis.
>
> Christoph
>
> --
> --------------------------------------------------------------------
> Christoph Brockmann
> Leibnitz-Institut fuer Molekulare Pharmakologie (FMP)
> Robert Roessle Str. 10
> D-13125 BERLIN, Germany
> phone: +49-30-94793-223
> email: [log in to unmask]
> --------------------------------------------------------------------
>
|