Hi Ashish, I had a look at the results file, and I think the problem is that you are loading a corrupted PDB file format. The Z coordinates for all atoms is set to None! You can see this at the bottom of the file. The first few coordinates are: <x type="list"> <value>[-14.56, -14.35, -12.87, -12.01, -14.73, -16.17, ... <ieee_754_byte_array>[snip]</ieee_754_byte_array> </x> <y type="list"> <value>[6.0, 2.0, 9.0, 1.0, 5.0, 7.0, ... <ieee_754_byte_array>[snip]</ieee_754_byte_array> </y> <z type="list"> <value>[None, None, None, None, None, None, ... </z> Because of the strange coordinates, especially integers for the Y coordinate and nothing for the Z, this can only be an incorrectly formatted PDB file. Note that the character position is what counts in the PDB format. Could this be the reason? Regards, Edward On 22 February 2017 at 12:01, Ashish Sethi <ashish.sethi@xxxxxxxxxxxxxx> wrote:
Hi Troels, I am having troubles login to my account. So I have uploaded the results.bz2 file on my drop box and this is the link to it: https://www.dropbox.com/s/86teapt1isbo8zr/results.bz2?dl=0 Hope this helps to access the files. Thanks Ashish ________________________________ From: tlinnet@xxxxxxxxx <tlinnet@xxxxxxxxx> on behalf of Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> Sent: Wednesday, February 22, 2017 8:02:24 PM To: Ashish Sethi Cc: relax-users@xxxxxxx Subject: Re: Error in model free analysis Hi Ashish. Attachments to the mailserver is dropped. Can you provide a bug report instead, at upload the file there? https://gna.org/bugs/?func=additem&group=relax<https://gna.org/bugs/?func=additem&group=relax> Best Troels 2017-02-22 8:56 GMT+01:00 Ashish Sethi <ashish.sethi@xxxxxxxxxxxxxx<mailto:ashish.sethi@xxxxxxxxxxxxxx>>: Dear Edward, I also tried running the same calculation on my personal macbook pro (OSx EI Capitan) and I got the following errors: relax> results.read(file='results', dir='/Users/ashishsethi/Desktop/model free LDLamodule/local_tm/aic') Opening the file '/Users/ashishsethi/Desktop/model free LDLamodule/local_tm/aic/results.bz2' for reading. Exception raised in thread. Traceback (most recent call last): File "gui/analyses/execute.pyc", line 87, in run File "gui/analyses/auto_model_free.pyc", line 811, in run_analysis File "auto_analyses/dauvergne_protocol.pyc", line 246, in __init__ File "auto_analyses/dauvergne_protocol.pyc", line 652, in execute File "prompt/uf_objects.pyc", line 225, in __call__ File "pipe_control/results.pyc", line 97, in read File "data_store/__init__.pyc", line 512, in from_xml File "data_store/pipe_container.pyc", line 244, in from_xml File "lib/structure/internal/object.pyc", line 1714, in from_xml File "lib/structure/internal/models.pyc", line 155, in from_xml File "lib/structure/internal/molecules.pyc", line 632, in from_xml File "lib/structure/internal/molecules.pyc", line 449, in from_xml File "lib/xml.pyc", line 287, in xml_to_object File "lib/float.pyc", line 200, in packBytesAsPyFloat error: pack expected 8 items for packing (got 571) I have attached the results.bz2 file with this email. Thanks Ashish _______________________________________________ relax (http://www.nmr-relax.com<http://www.nmr-relax.com>) This is the relax-users mailing list relax-users@xxxxxxx<mailto:relax-users@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-users<https://mail.gna.org/listinfo/relax-users> _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@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-users