Tyler, would you know what fixed the first traceback issue? I'd like to try to fix that in relax as any traceback message in relax is considered a bug.
I think it's just my python ignorance on this one. Here's how I produced the traceback in latex_mf_table.py: RESULTS_FILE = 'final/results.bz2' results.read(RESULTS_FILE, dir=None) I was proceeding on the assumption that specifying a directory at the location of the file name would be equivalent to specifying the same information to the dir argument of results.read However, by setting dir='final' and removing the directory argument from the file name itself, which I think is what was intended, the script works alright (except for the RelaxError discussed below).
The only errors that don't count as bugs are the RelaxError messages. This one seems like a directory issue within the structure section of the results file. Could you possibly cut and paste the results files lines corresponding to the loaded structure? I would suggest submitting a bug report as well - and I think I might be able to reproduce it with all the mol, res, and spin entries deleted. If I can get the test suite to reproduce this, I should be able to easily fix this.
I'll try to get on this today. Would this influence my final values? All of my S^2 values are <0.05 which is disturbing, and Sf^2 values are all <0.5. I'm just reading these manually from the .tex file (assuming all this TeX coding basically just means value|error for the successive column elements listed).
As for the .tex file, this is a LaTeX formatted table. You can simply use an \input{} command in your LaTeX document and the table will be included. You'll need the 2 packages as described in the script in the preamble of your document. If you haven't used LaTeX before, you can create a very simple PDF document from this file by adding the lines: \documentclass[a4paper, 11pt, twoside, openright]{book} \usepackage{longtable} \usepackage{booktabs} \begin{document} to the start of the file, and the line: \end{document} to the end. Then compile using latex by typing something like: $ latex results.tex $ latex results.tex $ latex results.tex $ dvips -o results.ps results.dvi $ ps2pdf results.ps You'll then have the results.pdf file to play with.
Okay, my system is small enough that I can just read the values manually from the .tex file for the moment. I'll try to include these additional lines for converting to PDF at some point. Tyler