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 <[email protected]>: > > 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 > > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/task/?6438> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
