I realize that those peaks are not labelled. They were unassigned residues. In the previous version I used 1.3.3 I had many unlabeled peaks and there was not any problem running relax. Do I need to remove these lines from the xpk in order to get relax working now? My problem is that relax seems to abort and I do not get any of the relaxation data output, just blank files.
On Wed, Mar 9, 2011 at 5:53 AM, Edward d'Auvergne <[email protected]> wrote: > Hi, > > Unfortunately this print out information is not enough for me to > determine what the problem is. The problem could be earlier when you > read in the sequence. If you could submit a bug report, that would be > much appreciated (https://gna.org/bugs/?func=additem&group=relax). If > you could include the full print out from relax, the information you > get from typing 'relax --info', your script, the sequence file, and > the 500.xpk file, it would be much appreciated and I should be able to > then fix the problem in a few minutes. If you would like to keep the > data confidential, you could remove all but the first 2 peaks from the > 500.xpk file (and the sequence file), and even randomise the value of > the peak height. Essentially if I have a tiny randomised data set and > relax script which demonstrates the bug, I would add this to the relax > test suite. That will allow me to debug it in a few minutes and also > to ensure that this data will be readable for the lifetime of relax. > > Cheers, > > Edward > > > > On 8 March 2011 21:59, Elio Cino <[email protected]> wrote: >> Hello. I have not used relax in a while and upgraded to the latest >> 1.3.10 before doing my curve fitting. I am having a problem with the >> sample script and have pasted a bit out the output below. I am not >> sure what is going on here. Any help is appreciated. Thanks. >> >> Opening the file '500.xpk' for reading. >> NMRView formatted data file. >> >> Number of header lines: 6 >> Using peak heights. >> RelaxWarning: Cannot find the spin :@ within the sequence. >> RelaxWarning: Cannot find the spin :@ within the sequence. >> RelaxWarning: Cannot find the spin :@ within the sequence. >> >> >> -- >> Elio Cino >> >> _______________________________________________ >> relax (http://nmr-relax.com) >> >> This is the relax-users 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-users >> > -- Elio Cino _______________________________________________ relax (http://nmr-relax.com) This is the relax-users 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-users
