Hi Jimmy, Are you using the dauvergne_protocol.py script or the same analysis built into the GUI (the auto-analysis)? I would recommend using this auto-analysis for model-free when you have multiple field strength data. For the message, I would guess that the problem is that there is a mismatch with the PDB file. To solve or understand such problems, it would be useful to have more information. For example the relax user function you ran which gave these warnings, and maybe one of the 'N' atom lines from the PDB file itself. Actually, the full output from relax would be much more useful (you can use '$ relax --log my_log my_script.py' to obtain a full log in the 'my_log' file). Possibly copying and pasting the contents of the script (not attaching) would also be useful. The warning you see says that it cannot find atom number 1, named 'N' for residue 433 in the PDB file. You can check this manually. The number 1, the atom number, is the first column of the PDB. The residue number and atom name should hopefully be obvious. I'm guessing that earlier in the script you have loaded into relax, sequence data which does not match what is in your PDB file. Alternatively, your 'N' atoms are called something else in the PDB. I hope this helps, Regards, Edward On 21 May 2012 11:44, James Nyirenda <jamesn7414@xxxxxxxxx> wrote:
Dear all, i tried to test both the windows based and mac based relax programs and used the sphere for modelfree analysis, it worked alright but would like to test my small data set, i have already r1,r2 and noe at two fields but would like to know how to input the pdb so that vectors can be extracted. i get a message like this "RelaxWarning: Cannot find the atom in the structure (atom ID ':433@1&@N'). RelaxWarning: Cannot find the atom in the structure (atom ID ':434@12&@N')." etc---- Jimmy.