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 <jamesn7414@xxxxxxxxx> 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
Re: creating a personal script