Hi Wim,
Thanks for the explanation. If I understand correctly, I don't need to
run link resonances at all if the the peak assignments correspond to the
resonances.
I noticed that on import the stereospecificly assigned protons they were
mapped on a and b automatically. The same happened when I imported
Sparky resonance assignment table - stereospecific assignmets were
automatically converted to non-stereospecific. So my question is, what
controls the mapping.
1. Is there an option to keep the stereospecific assignments as they are.
2. When the peak assignments are imported, I presume the mappy is done
through chemical shifts. What happens if restraints are imported? For
Cyana or CNS restrains the information on the chemical shifts is
available. Will it be used to map stereospecific assignments to a and b?
Cheers
Igor
Wim Vranken wrote:
> Hi Igor,
>
> What's happening is that the FC automatically links the information from the
> peak list to the correct resonances that are already in your project. It
> picks up that there are some unlinked resonances at the end of the peak list
> import (these are already part of the project before peak import) and asks
> for these to be linked - so you can ignore that. Admittedly a bit confusing,
> but harmless.
>
> If you want to turn of the automatic linking (for which it uses tags on the
> resonances that come from a previous Sparky import), deselect the 'Match
> existing resonances' option in 'Additional options'. This is necessary when
> you reassigned resonances in your project so that they don't match the
> assignments from the original Sparky import any more.
>
> Also apologies again for not noticing the attached screenshot in your
> initial mail!
>
> Wim
--
Dr. Igor Barsukov
Biological NMR Centre,
University of Leicester
PO Box 138,
University Road,
Henry Wellcome Building,
Leicester LE1 9HN
UK
E-mail: [log in to unmask]
Tel: +44 (0)116 229 7098
FAX: +44 (0)116 229 7053
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