[phenixbb] AutoSol error

Terwilliger, Thomas C terwilliger at lanl.gov
Thu Jan 10 15:21:48 PST 2013

Hi Luca,

I'm sorry for the trouble!   It could be the result of running different jobs, yes. I would have thought you should be able to get around it by setting the cell dimensions in the GUI, but you have done this just by running the GUI, so I'm not sure what is happening.  The "original cell" parameters are from...some file in your directory I assume?  Can you send me the output (or better yet, if you can reproduce it, rerun with "verbose=True" and send me that output)?

I would hope that if you run in a clean directory it should be ok...

-Tom T

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Luca Pellegrini [lp212 at cam.ac.uk]
Sent: Thursday, January 10, 2013 4:13 PM
To: PHENIX user mailing list
Subject: [phenixbb] AutoSol error

AutoSol (phenix 1.8.1-1168) stops at the build stage with the
following message:

The cell appears to have changed during the run Original cell: [49.22,
91.325, 103.285, 113.16, 97.64000000000001, 76.74]  New cell :
[49.173301696777344, 92.32479858398438, 103.37100219726562,
66.54070281982422, 82.29070281982422, 76.58550262451172]
  If running from a script, please specify the space group in the
input file. The incorrect space group may be coming from another

Can you please advice as to what might be wrong? I am running AutoSol
from the GUI and it did pick up the space group from the mtz file.
What AutoSol refers to as the 'new cell' is actually my original cell.

I was running two AutoSol jobs simultaneously from two mtz files with
the same cell dimensions, and they both failed with the same message.


Luca Pellegrini
Department of Biochemistry
University of Cambridge
80 Tennis Court Road
Cambridge CB2 1GA - UK

Email: lp212 at cam.ac.uk
Tel: 0044-1223-760469
Fax: 0044-1223-766002
Sanger building, room 3.59

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