Hi Masooma,
I am sorry for mis-reading ccpnmr as cyana in your first mail of this conversation.
I tried to export my chemical shift data from CCPNMR into TALOS, apply the
Deuterium correction and then import it back to CCPNMR. Importing and the link
resonances worked with my data with the following options/steps.
1. The usual steps:
M::Other::Format-Converter
FormatConverter::Import::SingleFile::ChemicalShift::Talos
3. In the Pop-Up window I expanded the additional options and
a. I unchecked the option "Match existing resonances" (which was checked by
default).
b. Add to the existing shift List : None
c. Other options are also unchecked
d. selected the chemical shift file to import (say new.tab).
Essentially, I imported it as a new shift list (say cacb_D.tab). A series of
pop-up windows allowed me to import the chemical shifts.
For linking the resonances, I had to manually select the range of residues in
the data model and in the imported shift file in a pop-up window. Then link
resonances ran successfully.
For calculating the secondary chemical shifts, I used the option
“M::Chart::SecondaryStructureChart”. In the pop-up window, I went to the
“Options” tab and selected the newly imported shift list (cacb_D.tab) for
calculation of the secondary chemical shifts and the secondary structure plot.
Please note that selection of some options in the pop-up
“FormatConverter::Import::SingleFile::ChemicalShift::Talos” led to either
unsuccessful importing of the talos shift table and/or unsuccessful “linking of
the resonances”.
Hope this will be of some help.
With best wishes
Aswani
> Thanks Aswani.
> Will I be able import the talos/cyana shift list into ccpnmr?
>
>
> Regards,
> Masooma
>
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