 |
 |
> I faced problems with Edit Assignment popup (I had it before the last update > and it is still there). I just thought it is somehow related to the thread > above. Anyway, I found this problem while working with aromatic 3d-noesy. > Please find details in the three files attached. They are for the same peak > but have different options (Intra-residue and Double tolerance) Off and On. > This prblem is not only with this particular peak. And seems I had it with > 3d-N-noesy as well - I am not sure and will try to catch it. Hi Vitaliy, It is possible, if not likely that this is the aftermath of the original ARIA export woes. If there are bizarre assignments hanging about from the export then you will have to sort those out first. Aside from that however, there may be bad covalent links lingering between resonances that need clearing. Backup the project and at the Python command line try: from ccpnmr.analysis.AssignmentBasic import getBoundResonances for r in top.project.currentNmrProject.resonances: getBoundResonances(r, recalculate=True) If this doesn't improve the situation I suggest you send me the project (.tgz) so I can investigate here. I will issue some further improvements to the ARIA export code in the near future. I have had no repeats of the isotope mismatch issue with the new code and a reputedly problematic project. All the major issues are certainly solved and I can't find anything else that is obvious. There may be further problems simply because of the differences in the CCPN and ARIA APIs. However, I have included much more protection (on both the ARIA and Analysis sides) to prevent anything bogus. T. ------------------------------------------------------------------------------- Dr Tim Stevens Email: [log in to unmask] Department of Biochemistry [log in to unmask] University of Cambridge Phone: +44 1223 766018 (office) 80 Tennis Court Road +44 7816 338275 (mobile) Old Addenbrooke's Site +44 1223 364613 (home) Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23 United Kingdom http://www.pantonia.co.uk ------------------------------------------------------------------------------- ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2- ------- -------------------------------------------------------------------------------