Hi,
Unfortunately, Sebastien is correct, this issue was caused by a bug in
old code, from 2004, which was not yet fully tested. I'm sorry if
this has caused any problems, this feature should have stayed in a
development branch rather than being included in relax versions 0.3 to
1.2.10. This was fixed in relax 1.2.11
(https://gna.org/forum/forum.php?forum_id=1736), and announced in the
relax-announce mailing list
(https://mail.gna.org/public/relax-announce/2007-10/msg00000.html).
Regards,
Edward
On Fri, Jun 13, 2008 at 7:02 PM, Sébastien Morin
<sebastien.morin.1@xxxxxxxxx> wrote:
Hi Barbara,
There were two bugs in relax concerning jw_mapping.
The bugs were respectively 9238 (https://gna.org/bugs/?9238) and 9259
(https://gna.org/bugs/?9259)
These were corrected in revisions 3298 (30-05-2007) and 3302 (20-06-2007).
So, if your old version of relax was prior these dates, your old
calculated jw_mapping results were erroneous.
Sorry for the inconvenience.
Have a nice day !
Sébastien Morin
Barbara wrote:
URL:
<http://gna.org/bugs/?11823>
Summary: non-reproducible data with reduced spectral
density
mapping
Project: relax
Submitted by: bdanchec
Submitted on: Friday 06/13/2008 at 15:32
Category: None
Severity: 4 - Important
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 1.2.13
Operating System: Microsoft Windows
_______________________________________________________
Details:
Hi-
I am having a rather odd problem with Relax. I used Relax last year to
calculate the spectral densities J(o), J(wN) and J(wH) for two proteins.
This
year I wanted to use Relax to calculate the same dataset for a slightly
modified version of one of the proteins. I expected that the results would
be the same for all residues except for the three residues in which the
data
changed (it's a 118 residue protein). Unfortunately I had to reinstall the
hard drive on my computer recently, and thus also Relax and all the other
programs. When I got everything up and running and calculated the spectral
densities, they were way off from what I expected for all residues. For
example, I originally got J(0) values between 0.01 - 0.07 ns/rad, but now I
am getting J(0) values between 0.28 - 1.2 ns/rad. To see if it was
something
wrong in one of my input files, I recalculated the spectral densities I
calculated last year, using the same exact input files and everything as I
did last year, but those results now matched this new data (J(0) values
between 0.28 - 1.2ns/rad). The two datasets I ran today are the same
except
for those three residues I changed, but the results are different from the
original results I obtained last year. Any thoughts on what is different
when I run these? I'm completely baffled.... any suggestions would be
great!
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?11823>
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