Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
Hi Edward, I submitted this as a bug report. I modified the full_analysis.py file after a SVN refresh. Unless you have a quick way of doing so, I will test the cleaned up version (submitted as a patch to the bug report) tomorrow. Doug On Sep 17, 2007, at 4:12 PM, Edward d'Auvergne wrote

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Edward d'Auvergne
Hi, In your previous post (https://mail.gna.org/public/relax-users/2007-09/msg00011.html, Message-id: <[EMAIL PROTECTED]>) I think you were spot on with the diagnosis. The reading of the results files with None in all model positions will create variables called 'model' with the value set to None

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
Hi Edward, No problem. I am working on this now, and will try to submit the bug report later tonight or tomorrow. Doug On Sep 17, 2007, at 4:12 PM, Edward d'Auvergne wrote: > Hi, > > In your previous post > (https://mail.gna.org/public/relax-users/2007-09/msg00011.html, > Message-id: <[EMAI

Re: Extremely long optimization times

2007-09-17 Thread Edward d'Auvergne
Hi, On 9/17/07, Sebastien Morin <[EMAIL PROTECTED]> wrote: > > Hi Ed, > > First, there were some bad assignments in my data set. I used the automatic > assignment (which takes an assigned peak list and propagates it to other > peak lists) procedure within NMRPipe for the first time and some peak

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
As a followup, my changes to full_analysis.py solved my problem. I will clean up my code and post it within the next day or so. Would you prefer that I attach the script as an attachment, or inline in an email, or provide a patch, or change the CVS code myself? Doug On Sep 17, 2007, at 1

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
My tests are still running, but here is what I think might be happening. I think there is a problem with comparing the string representation of the previous and current runs. When the previous results are loaded in the 'load_tensor' definition (starting on line 496), information for all re

Re: Extremely long optimization times

2007-09-17 Thread Sebastien Morin
Hi Ed, First, there were some bad assignments in my data set. I used the automatic assignment (which takes an assigned peak list and propagates it to other peak lists) procedure within NMRPipe for the first time and some peaks were badly assigned. Second, the PDB file is quite good as it is a rep

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
Hi Edward, I am running a test, but will post more information as soon as it finishes. RE: > Between these 2 rounds, are you sure that all models for all residues > are identical? From your data that you posted at > https://mail.gna.org/public/relax-users/2007-06/msg00017.html > (Message-id:

Re: bug? previous vs. current model test in full_analysis

2007-09-17 Thread Edward d'Auvergne
Hi, The problem is likely to be due to a circular looping around very similar solutions close to the universal solution, as I have defined in: d'Auvergne EJ, Gooley PR. Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. Mol Biosyst. 2007 Jul;3(7):483-94

bug? previous vs. current model test in full_analysis

2007-09-17 Thread Douglas Kojetin
Hi, I'm unsure if this is a bug in full_analysis.py, in the internal relax code, or user error. The optimization of the 'sphere' model will not converge, now after 160+ rounds. The chi-squared test has converged (long, long ago): "" from output Chi-squared test: chi