> What I had in mind was being able to generate strips in a 3D spectrum
> from each HSQC peak and then being able to scroll through the strips and
> match resonances from strip to strip. Then being able to reorder the
> strips to work through a backbone assigment. I don't know how easy
> something like this would be to implement in analysis.
The essential elements to do this are already present in Analysis, but the
process is not as automated or streamlined or automatic as they could be
if you're used to strips.
The peak list and right mouse navigation and strip generation options
will allow you to create 3D strips from HSQC positions, in sequence order
or otherwise.
Matching of peak positions and automatic plotting of possibilities (as
strips) can be done with the mouse menu option Peak::Match peaks
Strips can be arranged (same or different windows) with the right mouse
menu Strip::Change Window options.
To make the system easier I suspect that all we need is a new interface
for controlling these things. Let us know if you have any ideas. In many
ways Analysis was initially developed with the navigation/plane oriented
mind-set of ANSIG, although it will continue to expand into other
philosophies.
> I am currently using XEASY which works in this fashion. I am not totally
> averse to slightly different methodology but it would be nice to be able
> to see multiple options for an assignment simultaneously etc. I suppose
> opening different windows for each alternative resonance would be the
> best bet to get a similar set up in analysis.
With the peak matching & strip creation functions you can see the
multiple possibilities for sequential assignment without the need for
multiple windows. Although, by having a second window you could move
across matched spin system pairs to create a curated series of sequential
strips.
Also as a general point, if you have peaks assigned to anonymous
resonances then whenever you bring up the assignment popup for a peak the
matching resonance possibilities will be present in the assignment table.
For example if you assign new 'blank' 13Ca resonances for HNcoCA then for
an HNCA peak the 13Ca resonances that closely match will already be
present in the assignment table.
In this regard I now realise that a few macros to automatically setup
resonances and spin systems for HNCA, HNCOCA etc would be useful. Watch
this space...
> I'm not sure it will really be that much of a problem once I get more
> used to the program.
We don't aim to constrain you within Analysis, but there are a few
principles (like our Resonance concept) that are just different. So,
hopefully these will open up new possibilities.
Tim
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766022 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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