all residues, except for the glycines (G2, G7, G8, G14, G26) should have their values such as CSA etc. set.
I've attached the python script to this email, together with the .save file that gets read in by it, and the .results file. The .save and .results are from a previous relax run in which I have fitted microdynamic parameters to the relaxation data. Now I want to see how well the relaxation data belonging to the fitted microdynamic parameters fit to the measured original data...
[NOTE: I've attached the respective files to the bug report on the bugtracker - hjs]
Thanks. I've assigned the bug #6288 (https://gna.org/bugs/?func=detailitem&item_id=6288) to myself and I'll work on a fix tonight and hopefully release version 1.2.5 with these fixes tomorrow.
On a related note: The error occurs in both relax 1.2.2 and relax 1.2.3. I tried testing relax 1.2.4., but It won't start up on my machine giving me the following error:
[h.schirra@djc-montecristi ~/kalata]$ ~/relax-1.2.4/relax Traceback (most recent call last): File "/home/h.schirra/relax-1.2.4/relax", line 70, in ? from io import IO File "/home/h.schirra/relax-1.2.4/io.py", line 36, in ? from os import F_OK, access, devnull, makedirs, remove, stat ImportError: cannot import name devnull
Is that a relax issue, or shall I kick our IT guys for a dodgy python installation??
The import of the devnull function has only recently been added to relax (between versions 1.2.3 and 1.2.4). It may require a newer version of python listed in the dependencies or a rethink of whether I should use this function. The point of using 'devnull' is so that relax functions (either user functions or internal functions) which create files can be tested within the relax test-suite, the output being piped and lost within 'devnull'. Which version of python are you using?
Edward