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


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Posted by Ravi Pratap Barnwal on July 09, 2014 - 07:30:
Hi Edward,
it is working fine now.

regards
ravi


On Tue, Jul 8, 2014 at 12:37 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:

Hi Ravi,

For the new relax 3.2.3 version I announced last week
(http://article.gmane.org/gmane.science.nmr.relax.announce/57), have
you had the time to check if this fixes the problem?  If you would
like to receive these relax announcements, you can sign up for the
relax-announce mailing list at
https://mail.gna.org/listinfo/relax-announce/.  This email list
usually receives less than 10 emails per year.

Cheers,

Edward




On 2 July 2014 18:28, Ravi Pratap Barnwal <ravi13pb@xxxxxxxxx> wrote:
Hi Edward,
I did try updating it using the svn command but it did not solve the
issue.
I probably need to wait for the newer version. When are you going to
release
that.


regards
ravi



On Wed, Jul 2, 2014 at 12:29 AM, Edward d'Auvergne <edward@xxxxxxxxxxxxx

wrote:

Hi,

For reference, the bug report is at
https://gna.org/bugs/index.php?22257.  I have now fixed the problem in
the relax trunk.  The issue was exactly as I thought, and as I
described in the bug report, but I needed confirmation that this was
indeed the problem as your issue might have been a different bug.  If
you have subversion installed on your system, then you can obtain the
latest code using the command (via a terminal):

svn co http://svn.gna.org/svn/relax/trunk ./relax-trunk

See http://www.nmr-relax.com/download.html#Source_code_repository and
http://www.nmr-relax.com/manual/Latest_sources_relax_repositories.html
for more details.  Otherwise you will have to wait for me to release
relax 3.2.3 with this as well as a few other bug fixes.

Cheers,

Edward



On 1 July 2014 23:29, Ravi Pratap Barnwal <ravi13pb@xxxxxxxxx> wrote:
Hi Edward,
I have submitted the bug-report.

regards
ravi


On Mon, Jun 30, 2014 at 12:54 AM, Edward d'Auvergne
<edward@xxxxxxxxxxxxx>
wrote:

Hi Ravi,

I think I have found what might be causing the problem.  But I'll
wait
until you have submitted a bug report before making any fixes and
releasing a new version of relax, just to be sure that the problem
you
are seeing is the problem I am fixing.

Cheers,

Edward


On 30 June 2014 08:28, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
wrote:
Hi Ravi,

I'm having difficulty replicating the issue.  Would you be able to
create a bug report using the link
https://gna.org/bugs/?func=additem&group=relax ?  Cheers!  The
more
information you include the better.  For example the minimal steps
require to trigger the bug.  You could also attach your screenshot
there.  If there is enough detail for me to replicate the bug, then
it
usually takes me 5-10 minutes to fix it.  I could then release
relax
3.2.3 later this week with the fix.

Cheers,

Edward


On 27 June 2014 21:04, Ravi Pratap Barnwal <ravi13pb@xxxxxxxxx>
wrote:
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




--
--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




--
--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




-- 
--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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