Dear Paolo,
First of all, welcome to relax.
Second, thanks for submitting this bug report as well as a solution.
Have you tested the solution with data without MC simulations performed ?
Could you share a part of your dataset (possibly randomized) such that
we can reproduce the bug and include the data into the test suite for
the bug never to come back again, please ?
Thanks !
Séb :)
On 11-07-21 2:42 PM, Paolo Calligari wrote:
URL:
<http://gna.org/bugs/?18391>
Summary: Palmer extract. Error in chi2 read when 'sims' is
different from 0
Project: relax
Submitted by: pcalligari
Submitted on: Thu 21 Jul 2011 12:42:45 PM GMT
Category: relax's source code
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 1.3.10
Operating System: All systems
_______________________________________________________
Details:
When trying to read palmer's modelfree output performed with MC simulations,
the module palmer.extract(dir) fails.
Looking to the code, I'd say that line 731 in generic_fns/palmer.py
should be changed from
row = split(mfout_lines[chi2_pos + 2 + 22*pos])
to
row = split(mfout_lines[chi2_pos + 2 + 41*pos])
I've tried this change and now it works fine.
cheers,
Paolo
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?18391>
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--
Sébastien Morin, Ph.D.
Postdoctoral Fellow, S. Grzesiek NMR Laboratory
Department of Structural Biology
Biozentrum, Universität Basel
Klingelbergstrasse 70
4056 Basel
Switzerland
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