On Wed, 11 May 2011, Fowler, Andrew wrote:
> 1. How can I move a peak (as opposed to deleting and re-picking)? Is this
> even possible?
for a single selected peak "p" moves it to the current cursor position.
> 2. Is it possible to merge restraint sets and/or copy restraint lists
> between sets, and if so, how?
don't think so - I would like to be able to do this too for keeping things
like dihedral, SS & Hbond restraints in the current restraint set (though
ARIA does not mind dealing with multiple restraint sets, EBI deposition
can't handle it!).
> 3. My 15N NOESY has many crosspeaks to water. Is there some way to define
> H2O, and/or does anyone have any good suggestions for dealing with these
> other than setting merit=0 and/or good offline record keeping?
If you're shift matching the restraints in analysis you can set chemical
shift ranges for each dimension of each spectrum and these can be multiple
and discontinuous for each dimension. Thus it's easy to exclude water (or
other) stripes from restraint generation. I think setting merit to 0 is
safer though and can easily be done in the peak table by sorting on the
shift for the appropriate dimension and setting merit for multiple peaks
in a shift range around the water at once. That way if you later decide
that some peaks represent real NOEs you can put them back in.
> 4. This may be more of an ARIA question, but I have several instances where
> I should have inter-residue NOEs under an autopeak, for example i-1 HN
> completely under the i HN autopeak. When ARIA imports my restraint lists
> from Analysis, it throws out the autopeak contribution and then flags a
> violation since the NOE intensity is then "too close". Any suggestions for
> dealing with these short of just not including those restraints?
Anything under or too close to an auto-peak is not worth turning into a
restraint - you should exclude these from restraint generation in the
shift match dialogue in analysis, or just delete them!
--
Dr. Brian O. Smith ------------------------ Brian Smith at glasgow ac uk
School of Life Sciences, College of Medical, Vetinerary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
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