Chris MacRaild wrote:
Hi Alex,
I can't reproduce this with my own data, so I suspect its something to
do with either your data or the way relax is handling it. There are a
few things you could do to try and track this down. First try running
your script with the --debug flag. This should cause relax to save state
in response to the error. You can then load this state in an interactive
relax session and explore the data to find any sign of the problems. You
will want to type:
self.relax.data.res[run_name][index]
(where index is any integer from 0 to the number of residues you have)
This will give you all the residue specific data for this residue. Check
whether chi2 is finite (in which case that residue is probably not the
cause of your problems), and check that the relax_data and relax_error
fields match your expectations.
Hope that helps,
Chris
One other question to ask here is what architecture are you running this
on. It isn't a powerpc based mac, an sgi or a sun by any chance? The
code in float.py has only been tested on intel based platforms (linux
x86 and windows) currently.....
regards
gary
--
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Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: garyt@xxxxxxxxxxxxxxx Fax +44-113-2331407
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Re: [bug #7641] Infinite Chi2 warning