mailRe: problem loading R1, R2 and nOe files for modelfree


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Posted by Ravi Pratap Barnwal on June 27, 2014 - 21:04:
Hi Edward,
I am using version 3.2.2 on mac 10.8.5 (mountain lion). I am using GUI mode
to run the relax. Here is the report from "Tools-> System Information"




                                            relax 3.2.2

                              Molecular dynamics by NMR data analysis

                             Copyright (C) 2001-2006 Edward d'Auvergne
                         Copyright (C) 2006-2014 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.


relax> sys_info()

Hardware information:
    Machine:                 x86_64
    Processor:               i386
    Processor name:          Intel(R) Xeon(R) CPU           W3530  @ 2.80GHz
    Endianness:              little
    Total RAM size:          2048.0 Mb
    Total swap size:         11264.0 Mb

Operating system information:
    System:                  Darwin
    Release:                 12.5.0
    Version:                 Darwin Kernel Version 12.5.0: Sun Sep 29
13:33:47 PDT 2013; root:xnu-2050.48.12~1/RELEASE_X86_64
    Mac version:             10.8.5 (, , ) x86_64
    Distribution:
    Full platform string:    Darwin-12.5.0-x86_64-i386-64bit

Python information:
    Architecture:            64bit
    Python version:          2.7.2
    Python branch:
    Python build:            default, Apr  5 2012 18:46:15
    Python compiler:         GCC 4.2.1 (Apple Inc. build 5666) (dot 3)
    Libc version:
    Python implementation:   CPython
    Python revision:
    Python executable:       /Applications/relax.app/Contents/MacOS/python
    Python flags:            sys.flags(debug=0, py3k_warning=0,
division_warning=0, division_new=0, inspect=0, interactive=0, optimize=1,
dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
tabcheck=0, verbose=0, unicode=0, bytes_warning=0)
    Python float info:       sys.float_info(max=1.7976931348623157e+308,
max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021,
min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.220446049250313e-16,
radix=2, rounds=1)
    Python module path:
['/Applications/relax.app/Contents/Resources/lib/python27.zip',
'/Applications/relax.app/Contents/Resources/lib/python2.7',
'/Applications/relax.app/Contents/Resources/lib/python2.7/plat-darwin',
'/Applications/relax.app/Contents/Resources/lib/python2.7/plat-mac',
'/Applications/relax.app/Contents/Resources/lib/python2.7/plat-mac/lib-scriptpackages',
'/Applications/relax.app/Contents/Resources/lib/python2.7/lib-tk',
'/Applications/relax.app/Contents/Resources/lib/python2.7/lib-old',
'/Applications/relax.app/Contents/Resources/lib/python2.7/lib-dynload',
'/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip',
'/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages',
'/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages']

Python packages and modules (most are optional):

Name               Installed    Version
Path

minfx              True         1.0.6
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/minfx

bmrblib            True         1.0.3
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/bmrblib

numpy              True         1.6.1
/Applications/relax.app/Contents/Resources/lib/python2.7/numpy

scipy              True         0.10.1
/Applications/relax.app/Contents/Resources/lib/python2.7/scipy

wxPython           True         2.9.3.1 osx-cocoa (classic)
/Applications/relax.app/Contents/Resources/lib/python2.7/wx

matplotlib
False

mpi4py             True         1.2.2
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/mpi4py

epydoc             True         3.0.1
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/epydoc

optparse           True         1.5.3
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/optparse.pyc

readline
False

profile            True
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/profile.pyc

bz2                True
/Applications/relax.app/Contents/Resources/lib/python2.7/lib-dynload/bz2.so

gzip               True
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/gzip.pyc

io                 True
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/io.pyc

xml                True         0.8.4 (internal)
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/xml/__init__.pyc

xml.dom.minidom    True
/Applications/relax.app/Contents/Resources/lib/python2.7/site-packages.zip/xml/dom/minidom.pyc


relax information:
    Version:                 3.2.2
    Processor fabric:        Uni-processor.

relax C modules:

Module                        Compiled    File
type
Path

target_functions.relax_fit    True        3-way bundle (i386, ppc,
x86_64)
/Applications/relax.app/Contents/Resources/lib/python2.7/lib-dynload/target_functions/relax_fit.so




regards
ravi


On Fri, Jun 27, 2014 at 12:28 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:

Hi Ravi,

Which version of relax are you using and which operating system are
you running it on?  Are you using the newest 3.2.2 version?  Could you
run 'relax -i' or, in the GUI, select the 'Tools->System information'
menu item and the copy and paste the output into the body of a new
email?  Note that due to too much abuse of the system, attachments are
no longer allowed on the relax mailing lists to avoid excessive strain
on the open source infrastructure.  All attachments are filtered, i.e.
stripped from the message.  See your archived message at
http://article.gmane.org/gmane.science.nmr.relax.user/1695 for
example.  If you would like to share a file in such a situation, the
best solution is to create a bug report using the link
https://gna.org/bugs/?func=additem&group=relax and to attach the file
there.  There are also support requests for non-bug related issues
where files can also be attached
(https://gna.org/support/?func=additem&group=relax).

Cheers,

Edward


On 27 June 2014 00:50, Ravi Pratap Barnwal <ravi13pb@xxxxxxxxx> wrote:
Hi,
I am encountering problem while loading R1,R2 and nOe values calculated
for
two different fields into relax (precompiled version 3.2.2) for mac
10.8.5.
When i try to add the data and try to change the "free format file
settings" for respective file, it is kind of hanging and does not proceed
anywhere. My files are in the following format,
3       GLY     1.814795542     0.090739777
4       SER     2.267446596     0.11337233
5       MET     2.621469801     0.13107349
6       ASP     2.751590887     0.137579544


Am i doing something wrong? I am following the protocol from this link,


http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_data_pipe_initialisation.html

I have attached a screen-shot for the problem. Any help is highly
appreciated.

regards
ravi
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-- 
--With best wishes
Ravi Pratap Barnwal, Ph. D.
Research Associate,
Prof. G Varani's Group,
Department of Chemistry,
University of Washington, Seattle
WA 98195-1700
USA
Phone-206 617 9423 (M)
Email- barnwal@xxxxxxxxxxxxxxxx


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