On 15/08/13 19:21, skinnersp wrote:
> Hi Everyone,
>
> I am trying to import a CNS distance file that contains both upper and
> lower distance boundaries as shown here
>
>
> assign (resid 3 and name HB* ) (resid 3
> and name HE1 ) 4.78 5.05 0
From the CNS documentation:
ASSIgn atom-selection atom-selection real real real
The atom selections define the atoms (or groups of atoms) between which
the distance restraint will be applied. The following real numbers
determine the parameters of the distance restraint: d (the distance),
and dminus, and dplus (the extents either side of this distance)
respectively.
This would mean, the lower bound would calculate as ( 4.78 - 5.05 ).
Could this be the problem?
Justin
--
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117
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