Thanks, Wayne.
I guess the problem arises from the fact that the distance restraints
were written into the project by Aria. Although Aria did use dihedral
angle restraints from a different restraint/constraint set in the
calculation, Aria didn't write these into the constraint set. So I have
a single calculation, but restraints from mulitple constraint sets that
were used in the calculation.
I'll see if I can upload the restraints independently in AutoDep.
Thanks
Vicky
>
> I think there is a bit of a limitation (possibly for some good
> reason!) here. A Structure Generation (as listed in the top table of
> the Structures tab in the ECI) has an associated Constraint Set
> ("holding constraints used in the Structure Generation") and all the
> Constraint Lists in this Constraint Set are included in the deposition
> Entry if and only if the Structure Generation has that as the
> associated Constraint Set. So there is no way to toggle individual
> Constraint Lists on or off. In your case I guess there must be two
> different Structure Generations, one for each of those Constraint
> Sets?? If so then both Structure Generations need to be toggled on
> (in that top table) for the associated Constraint Sets to be used. I
> hope this makes some kind of sense (what is going on more than what
> should be going on!).
>
> Wayne
>
> On Mon, 22 Jul 2013, Vicky Higman wrote:
>
>> Hi,
>>
>> I am busy setting up my PDB submission in Analysis and am struggling
>> to find a way to include multiple restraint sets. The reason this
>> problem arises, is that one restraint set includes the NOEs and
>> another includes the dihedral restraints. I can't seem to find a way
>> of either including both restraint sets in the deposition or of
>> merging them into a single restraint set. Has anyone else encountered
>> this problem?
>>
>> Thanks,
>> Vicky
>>
>>
>> --
>> ************************************************
>> Dr. Victoria A. Higman-Davies
>>
>> School of Chemistry
>> University of Bristol
>> Cantock's Close
>> Bristol BS8 1TS
>> U.K.
>>
>> E-mail: [log in to unmask]
>>
>> http://www.protein-nmr.org.uk
>> ************************************************
>>
--
************************************************
Dr. Victoria A. Higman-Davies
School of Chemistry
University of Bristol
Cantock's Close
Bristol BS8 1TS
U.K.
E-mail: [log in to unmask]
http://www.protein-nmr.org.uk
************************************************
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