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Posted by Edward d'Auvergne on February 04, 2014 - 18:34:
This is a major bugfix release which fixes the complete failure of the
NOE analysis for most users,
a bug introduced in the last relax release
(  All
users of relax 3.1.4 should upgrade to this version.

The new relax versions can be downloaded from  If binary distributions are
not yet available for your platform and you manage to compile the
binary modules, please consider contributing these to the relax
project (described in section 3.6 of the relax manual,

The full list of changes is:


        * Updated the interatom.unit_vectors user function description
to add the text '3D structure'.  This is in response to the relax-users
mailing list message and the change is to clarify the usage of the
user function.
        * Created the Noe.test_bug_21591_noe_calculation_fail system
test.  This is to catch bug #21591 (
submitted by Martin Ballaschk (  This is
the complete failure of the NOE analysis.  The peak lists attached to
the bug report have been included in the test suite to create the
system test.
        * Improvements for the steady-state NOE analysis
overfit_deselect() method.  The spin deselection which occurs at the
start of the calc user function call, used to calculate the NOE, is
now clearer.  Each deselection condition is now explained in detail
and the text is now far more informative.  In addition, the special
condition of all spins being deselected is now caught.  If this
happens, a RelaxError is raised to prevent the user from going
forwards.  This should remove confusion as to why the output file is

        * Fix for bug #21591 (, the
complete failure of the NOE analysis.  This bug was reported by Martin
Ballaschk (  The issue was introduced in
the fix for bug #21562 (  The problem is
that the overfit_deselect() method was deselecting all spins with two
data points or less rather than one or less.

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