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
On Mon, 2006-11-06 at 16:38 +0100, Alex Hansen wrote:
URL:
<http://gna.org/bugs/?7641>
Summary: Infinite Chi2 warning
Project: relax
Submitted by: viochemist
Submitted on: Monday 11/06/2006 at 10:38
Category: relax's source code
Priority: 5 - Normal
Severity: 3 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: Repository: 1.3 line
Operating System: All systems
_______________________________________________________
Details:
After a short hiatus, and seeing the local_tm fix, I updated my 1.3 line to
revision 2754. When I run the local_tm calcuation now, I receive a warning
of:
RelaxError: The invalid chi-squared floating point value of infinity has
occurred.
And, since local_tm fails, all subsequent models also fail. Any thoughts?
_______________________________________________________
Carbon-Copy List:
CC Address | Comment
------------------------------------+-----------------------------
Available only the item webpage | Submitted the item
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?7641>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
Re: [bug #7641] Infinite Chi2 warning