URL: <http://gna.org/bugs/?20479> Summary: Model-free analysis failed after creating local tm Project: relax Submitted by: stacy Submitted on: Mon Feb 4 15:25:48 2013 Category: None Severity: 5 - Blocker Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 2.2.1 Operating System: GNU/Linux _______________________________________________________ Details: I was trying to run model-free analysis of relaxation data: 4 files (R1, R2, NOE for 800 MHz and R2 for 600MHz). First I have chosen local tm model and executed relax. It has created local_tm directory with aic, tm0-tm9 folders with result.bz2 in every folder. Then as I don't have pdb file with structure, I have chosen sphere model and it returned error: relax> results.write(file='results', dir='/home/stacy/PrtG/local_tm/aic', compress_type=1, force=True) Opening the file '/home/stacy/PrtG/local_tm/aic/results.bz2' for writing. Exception raised in thread. Traceback (most recent call last): File "/usr/local/relax-2.2.1/gui/analyses/execute.py", line 87, in run self.run_analysis() File "/usr/local/relax-2.2.1/gui/analyses/auto_model_free.py", line 808, in run_analysis dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name, pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir, diff_model=self.data.global_models, mf_models=self.data.mf_models, local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc, diff_tensor_grid_inc=self.data.diff_tensor_grid_inc, mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter, conv_loop=self.data.conv_loop) File "/usr/local/relax-2.2.1/auto_analyses/dauvergne_protocol.py", line 193, in __init__ switch(self.pipe_name) File "/usr/local/relax-2.2.1/generic_fns/pipes.py", line 469, in switch test(pipe_name) File "/usr/local/relax-2.2.1/generic_fns/pipes.py", line 503, in test raise RelaxNoPipeError(pipe_name) RelaxNoPipeError: RelaxError: The data pipe 'final' has not been created yet. P.S. The main steps: I have tried calculate rotational correlation time and I failed. First of all to describe main steps: 1)load sequence from NOE data file 2)check spin.name, spin.element, spin.isotope 3)load relaxation data: 4 files (R1, R2, NOE for 800 MHz and R2 for 600MHz) 3)sequence.attach_protons() 4)dipolar relaxation (as I don't have pdb file, I have skipped first part and applyed only magnetic dipolar relaxation setup) 5)csa relaxation 6)protocol model local tm 7) execute relax 8)protocol sphere 9)execute relax _______________________________________________________ File Attachments: ------------------------------------------------------- Date: Mon Feb 4 15:25:48 2013 Name: NoeRelN Size: 2kB By: stacy <http://gna.org/bugs/download.php?file_id=17123> ------------------------------------------------------- Date: Mon Feb 4 15:25:48 2013 Name: R2604 Size: 2kB By: stacy <http://gna.org/bugs/download.php?file_id=17124> ------------------------------------------------------- Date: Mon Feb 4 15:25:48 2013 Name: R1850 Size: 2kB By: stacy <http://gna.org/bugs/download.php?file_id=17125> ------------------------------------------------------- Date: Mon Feb 4 15:25:48 2013 Name: R2863 Size: 2kB By: stacy <http://gna.org/bugs/download.php?file_id=17126> _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?20479> _______________________________________________ Message sent via/by Gna! http://gna.org/