Hi Eldon,
I have another question regarding the coherence_type tag. In R1
relaxation this is set to Nz. But what if you have an RNA or small
molecule where you have a combination of 13C and 15N relaxation data?
Cheers,
Edward
On Mon, Jan 12, 2009 at 7:44 PM, Eldon Ulrich <elu@xxxxxxxxxxxxx> wrote:
Hi Edward,
Glad to hear you are making progress with the NMR-STAR output. In general, a
BMRB entry in NMR-STAR format is a valid file to upload into the ADIT-NMR
deposition system as the starting point for a deposition. Partial files can
be used also (i.e., a saveframe with chemical shift or relaxation data), but
the system may not be able to extract as much information like the protein
sequence as the sequence may be incomplete.
We are revisiting the values to be used for the 'coherence_type' tag. The
current enumerations are not really correct it seems. Also, in discussion
here, it appears that double quantum, single quantum antiphase, longitudinal
spin order, and other forms of coherences are not truly R1, R2, or R1rho
relaxation. It may be useful to create another saveframe to capture these
kinds of data. I will document our current thinking and send it in another
e-mail. I would be very pleased to have your input on this.
Cheers,
Eldon
Re: relaxing the BMRB.