Hi Mengjun, This bug has now been fixed. The problem was with the very first residue, as the PDB file has no H atom for it. Normally this is not an issue because the first atom should normally not be visible in a nitrogen HSQC. So there are 3 ways of fixing the problem. You could wait until a new version of relax is released, though this could take a while as the next version will be the first of a brand new 3.0 release series. Alternatively you can check out a copy of the relax trunk as described in the docs (http://www.nmr-relax.com/manual/Latest_sources_relax_repositories.html). Or thirdly, you can deselect your first residue.
Regards, Edward On 29 March 2013 18:03, <[email protected]> wrote: > Hi Edward, > > Thank you so much for your suggestions. I will read it carefully. > > > Regards, > > Mengjun > > > Quoting Edward d'Auvergne <[email protected]>: > >> Hi, >> >> The best way would be to read the manual. Sebastien Morin has written >> a nice guide with step-by-step instructions on what you need to do in >> the manual. You will need to read this as there are some manual steps >> which relax does not automate for you which you should be aware of. >> You should also read Sebastien's paper on the subject >> (http://dx.doi.org/10.1007/s10858-009-9381-4). >> >> Regards, >> >> Edward >> >> >> On 28 March 2013 21:10, <[email protected]> wrote: >>> >>> Hi Edward, >>> >>> Thanks. I have submitted the pdb file. I understand that the consistency >>> test is for 2 field nmr data, for example, by comparing the J(0) at 500 >>> MHz >>> and J(0) at 700 MHz, so I loaded the two field data when using >>> consistency_tests.py. I am confused that if one field data is loaded in >>> consistency_tests.py, how can consistency_tests.py check the consistency >>> between NMR data at 500 MHz and NMR data at 700 MHz? Thank you. >>> >>> With best regards, >>> >>> Mengjun >>> >>> >>> >>> >>> >>> Quoting Edward d'Auvergne <[email protected]>: >>> >>>> Hi again, >>>> >>>> I was wondering if you have read the consistency testing part of the >>>> relax manual written by Sebastien Morin (the person who implemented >>>> this analysis). Specifically this section: >>>> >>>> >>>> >>>> http://www.nmr-relax.com/manual/Consistency_testing_script_mode_relaxation_data_lo.html >>>> >>>> Note the text, "For this analysis, only data for a single field >>>> strength can be loaded". This may possibly be the source of some of >>>> your problems. >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> >>>> >>>> On 28 March 2013 20:02, Edward d'Auvergne <[email protected]> wrote: >>>>> >>>>> >>>>> Hi Mengjun, >>>>> >>>>> Could you also attach the PDB file? I need it to be able to run the >>>>> script and replicate the problem. >>>>> >>>>> Cheers, >>>>> >>>>> Edward >>>>> >>>>> >>>>> >>>>> On 28 March 2013 16:39, anonymous <[email protected]> >>>>> wrote: >>>>>> >>>>>> >>>>>> Additional Item Attachment, bug #20674 (project relax): >>>>>> >>>>>> File name: T1 dhp 700.txt Size:74 KB >>>>>> File name: T2 dhp 500.txt Size:67 KB >>>>>> File name: T2 dhp 700.txt Size:68 KB >>>>>> File name: logconsistency Size:371 KB >>>>>> >>>>>> >>>>>> _______________________________________________________ >>>>>> >>>>>> Reply to this item at: >>>>>> >>>>>> <http://gna.org/bugs/?20674> >>>>>> >>>>>> _______________________________________________ >>>>>> Message sent via/by Gna! >>>>>> http://gna.org/ >>>>>> >>>>>> >>>>>> _______________________________________________ >>>>>> relax (http://www.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://www.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
