> when I run Copy Chain Assignments it moves the assignments across to the
> new system rather than copies, is this intended or have I done something
> wrong?
Hi Jo,
Change the "Final Chain" column to "Both" for the desired experiments.
(Using the [Duplicate] button will do this for all experiments.) You can
duplicate, move or leave unaltered the chain assignments for any
experiment.
> Also I notice it takes all the shifts from the shiftlist
> regardless of which experiments are selected, is it possible to include
> an option to only take shifts related to a particular experiment?
An extra option is not needed. Just delete the orphaned shifts
Assignment::Resonances [Delete Orphans].
The copy chain assignments function does not work directly with shifts to
take them anywhere specific. If an experiment that is using a given shift
list is initially assigned to chain A, and then has all of its peak
assignments moved to chain B, then the peaks will have been moved to an
entirely new set of resonances for chain B atoms. The shift list will now
contain the original records of the resonances for chain A atoms and new
records for chain B atoms. If there are now no peaks that define the
shifts of the chain A resonances, then these are orphaned and can be
removed if required, although they ought not do any harm as far as
assignments are concerned.
Thinking about it, once you have moved assignments over to the different
molSystem, there is no harm in everything usinging the same shift list.
The two molSystems will be using different sets of resonances after all.
T.
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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 766018 (office)
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