Hi Eldon,
I have been working away on relax to produce the NMR-STAR formatted
file for BMRB deposition, and an example of the current output is
https://gna.org/support/download.php?file_id=7140. If you have any
feedback on the current status, that would be very welcome. Note that
there are a few problems:
1) The ADIT-NMR deposition system is not too happy importing all the
data, with the general_relaxation and model_free saveframe categories
being completely ignored.
2) The ADIT-NMR system is not loading the atom specific chemical
shift anisotropy and heteronuclear NOE data.
3) Much information is still missing - bond lengths, internuclear
vectors, diffusion tensors, etc. This will require the new saveframe
categories.
For the first 2 points, would you know why this is happening? For the
3rd, how close to being implemented are the ideas we discussed at
Euromar? For data submission, it would be good to have the full
dynamic description deposited to allow others to use and process this.
Cheers,
Edward
2009/10/28 Edward d Auvergne <NO-REPLY.INVALID-ADDRESS@xxxxxxx>:
Follow-up Comment #4, task #6438 (project relax):
In the previous comment, only one file was attached due to size. This file
(file #7140) is the incomplete NMR-STAR file. Attached to this is the relax
results file with all simulation data converted to 'trunc' (to allow it to
be
attached).
(file #7141)
_______________________________________________________
Additional Item Attachment:
File name: OMP_final_no_sim.bz2 Size:100 KB
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Reply to this item at:
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Re: [task #6438] To relax the BMRB.