Did the relaxation rates also have non-zero error values in the rx.agr output file? My script also works fine, but just does not give me error values. Output of relax --info:
relax 1.3.12 Molecular dynamics by NMR data analysis Copyright (C) 2001-2006 Edward d'Auvergne Copyright (C) 2006-2011 the relax development team This is free software which you are welcome to modify and redistribute under the conditions of the GNU General Public License (GPL). This program, including all modules, is licensed under the GPL and comes with absolutely no warranty. For details type 'GPL' within the relax prompt. Assistance in using the relax prompt and scripting interface can be accessed by typing 'help' within the prompt. Processor fabric: Uni-processor. Hardware information: Machine: x86_64 Processor: x86_64 System information: System: Linux Release: 2.6.18-8.1.8.el5 Version: #1 SMP Tue Jul 10 06:39:17 EDT 2007 GNU/Linux version: CentOS 5.7 Final Distribution: redhat 5.7 Final Full platform string: Linux-2.6.18-8.1.8.el5-x86_64-with-redhat-5.7-Final Software information: Architecture: 64bit ELF Python version: 2.7.1 Python branch: tags/r271 Python build: r271:86832, Mar 8 2011 14:55:08 Python compiler: GCC 4.1.2 20080704 (Red Hat 4.1.2-48) Python implementation: CPython Python revision: 86832 Numpy version: 1.5.1 Libc version: glibc 2.3 Python packages (most are optional): Package Installed Version Path minfx True Unknown /usr/local/relax-1.3.12/minfx bmrblib True Unknown /usr/local/relax-1.3.12/bmrblib numpy True 1.5.1 /usr/local/lib/python2.7/site-packages/numpy wxPython False mpi4py False epydoc False optparse True 1.5.3 /usr/local/lib/python2.7/optparse.pyc readline True /usr/local/lib/python2.7/lib-dynload/readline.so profile True /usr/local/lib/python2.7/profile.pyc bz2 True /usr/local/lib/python2.7/lib-dynload/bz2.so gzip True /usr/local/lib/python2.7/gzip.pyc os.devnull True /usr/local/lib/python2.7/os.pyc Compiled relax C modules: Relaxation curve fitting: True I also deleted the suggested file and ran scons, but I still do not get error values with the output relaxation rates. On 10/05/11, Edward d'Auvergne <[email protected]> wrote: > I have unpacked the file and tested this against the current 1.3 > repository line (r14791) and against relax 1.3.10, 1.3.11, 1.3.12 and > in all cases, the script using these truncated data files works ok for > me. Could you copy and paste the results of: > > $ relax --info > > Also, do you have the scons program installed and the python > development package? Maybe you could test the following. Delete the > maths_fns/relax_fit.so file, then in the base relax directory type: > > $ scons > > Maybe the compiled C modules are incompatible with your setup. More > details are given at > http://www.nmr-relax.com/download.html#Source_code_release. > > Regards, > > Edward > > > > On 5 October 2011 17:49, anonymous <[email protected]> wrote: > > > > Follow-up Comment #2, bug #18789 (project relax): > > > > Hi Edward. Thanks for getting back to me. I have attached a gz file with the > > full set of .xpk files, relax_fit script and pdb file. The xpk files have > > just > > the two spins you mentioned. I tried running it, but still get error values > > equal to 0. I am not sure this is a bug. I may very well have an error in my > > script since this is the first time I have used relax without duplicated > > spectra and I am taking a bit of a guess with the spectrum.baseplane_rmsd > > lines. Thanks for your time. > > > > (file #14204) > > _______________________________________________________ > > > > Additional Item Attachment: > > > > File name: relax_test.tar.gz Size:13 KB > > > > > > _______________________________________________________ > > > > Reply to this item at: > > > > <http://gna.org/bugs/?18789> > > > > _______________________________________________ > > Message sent via/by Gna! > > http://gna.org/ > > > > > > _______________________________________________ > > relax (http://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 > > > > -- Elio Cino _______________________________________________ relax (http://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
