> A quick question about assigning atom types - is it possible to assign
> resonances to a generic atom type without linking to the sequence via
> the atom browser?
Yes, although you still use the atom browser to do this (as it represents
all possible atom types).
In the EditAsssignmentPopup if you have a resonance assigned to a peak
dimension you can click on the resonance (left hand column) and then on
the [Set Atom Type] button - This will bring up the atom browser, so you
can select any atom of the appropriate type, i.e. clicking on an atomic
selection will now only set the type of the resonance, and not assign the
specific residue or atom.
> Currently, the EditSpinSystem popup will let me assign to a particular
> residue in the sequence, then deassign the residue number.
You can achieve this in one step by using the [Assign Type] and choosing
an appropriate three letter code from the atom browser. - Again it doesn't
matter which specific residue you use.
> If there are atom types set, these are lost since they are associated
> with residue number in the atom browser.
This is not true, certainly in latter versions of Analysis. The resonance
types (assignNames) are preserved. You can see this when you deassign a
spin system and then reassign it to another similar residue; the
resonances are automatically linked to the correct atoms because the atom
types are remembered.
If you had a resonance fully assigned to an atom in a spin system, when
the spin system is deassigned the name of the resonance should be
something like "HA[123]" - i.e. with both the preserved atom type and the
resonance number shown. The resonance number acts as a reference so that
you can find the resonance in a list, even if it is not part of any spin
system.
Hopefully if you set the residue type of your spin systems and the atom
type of the resonances you will end up with annotations like
"{99}AlaHA[123]" which will automatically become "15AlaHa" if you
sequentially assign the spin system (or one of its resonances).
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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