Ah, it's in the Grace file! I didn't see this before. The rx.out does contain the errors, though these are quite large, probably due to another problem. I'll look into this now.
Cheers, Edward On 5 October 2011 18:17, Elio Cino <[email protected]> wrote: > 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
