URL: <http://gna.org/bugs/?17876> Summary: relax_fit script failing Project: relax Submitted by: None Submitted on: Wed 09 Mar 2011 02:35:45 PM UTC Category: relax sample scripts Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Elio Originator Email: herfworm@xxxxxxxxx Open/Closed: Open Discussion Lock: Any Release: 1.3.10 Operating System: GNU/Linux _______________________________________________________ Details: Hi Edward. Hopefully these will help diagnosing the problem I am having. It is probably something simple I am missing when using the new sample scrips with 1.3.10 since things were running fine with 1.3.3 and the old script. The test suite passed and the output of relax --info is below and other requested files are attached. Thanks for your help. relax 1.3.10 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. 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 5.5 Final Distribution: redhat 5.5 Final Full platform string: Linux-2.6.18-8.1.8.el5-x86_64-with-redhat-5.5-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/minfx bmrblib False numpy True 1.5.1 /usr/local/lib/python2.7/site-packages/numpy ScientificPython False wxPython False mpi4py False epydoc False optparse True 1.5.3 /usr/local/lib/python2.7/optparse.pyc Numeric False 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 _______________________________________________________ File Attachments: ------------------------------------------------------- Date: Wed 09 Mar 2011 02:35:45 PM UTC Name: 1ubq.pdb Size: 59kB By: None <http://gna.org/bugs/download.php?file_id=12643> ------------------------------------------------------- Date: Wed 09 Mar 2011 02:35:45 PM UTC Name: 500.xpk Size: 9kB By: None <http://gna.org/bugs/download.php?file_id=12644> ------------------------------------------------------- Date: Wed 09 Mar 2011 02:35:45 PM UTC Name: relax_fit.py Size: 4kB By: None <http://gna.org/bugs/download.php?file_id=12645> ------------------------------------------------------- Date: Wed 09 Mar 2011 02:35:45 PM UTC Name: output Size: 14kB By: None <http://gna.org/bugs/download.php?file_id=12646> _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?17876> _______________________________________________ Message sent via/by Gna! http://gna.org/