Hi, Ok, you will first need to copy the dauvergne_protocol.py script to the directory where you would like to perform the analysis. This should also contain the R1, R2, and NOE relaxation data at 2 or more fields. You can then edit this script to suite. You many need to refer to the user function documentation, which you can see by typing at the relax prompt, for example:
$ relax relax> help(structure.read_pdb) Or simply look at the relax manual (either the PDF that came with the program, or online at http://www.nmr-relax.com/manual/Alphabetical_listing_user_functions.html). Once you think everything is correct, you can run the full analysis by typing: $ relax dauvergne_protocol.py and then waiting the week or so for the analysis to complete. There are no other scripts required. You will need to watch the printouts very carefully, at least at the start, to see if there are any RelaxWarnings which indicate that the script is not quite right. You might need to type Ctrl+C to kill relax and restart it with the modified script. Alternatively, using relax 1.3.16, you can perform the whole dauvergne_protocol analysis via the graphical user interface (GUI). You can simply type: $ relax --gui This is designed to be self-explanatory, but it is also now fully explained in the relax 1.3.16 user manual (see http://www.nmr-relax.com/manual/Model_free_analysis.html, though the PDF might be easier to read). I hope this helps. Regards, Edward On 21 May 2012 13:30, James Nyirenda <[email protected]> wrote: > Hi all, Jimmy again. > I am learning this powerful software and would like to tailor the full > analysis protocol to suit my data and then execute it. How do i go about > the changes? I can open the sample scripts from relax into vim editor and > can change some parameters but how do i take it back to relax so that it > gets running? > Regards > Jimmy _______________________________________________ relax (http://www.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
