Hi James, Welcome to the relax mailing lists! Fortunately, your problem has already been solved. If you find a bug or problem in relax, it is best to first check the relax bug tracker to see if the issue has already been encountered (see https://gna.org/bugs/?group=relax). In this case, the bug that you see has been reported at https://gna.org/bugs/?20197. If you also look at the announcement for relax 2.1.2 (https://gna.org/forum/forum.php?forum_id=2369), you will see that the fix for this bug is included in this release. So you simply have to upgrade to relax 2.1.2 and your problem will be solved.
Regards, Edward On 5 November 2012 14:19, James Tolchard (CHE) <[email protected]> wrote: > Hello relax users, > > I haven't used relax for too long, so please excuse if this is a daft > question. I am trying to carry out a model free calculation for my relaxation > data at two fields. I'm pretty sure I have good T1, T2 and hetNOE data but at > the end of my fully automated model free run, I receive the following error > in the relax controller window: > > relax> pymol.macro_write(data_type='s2', style='classic', > colour_start_name=None, colour_start_rgb=None, colour_end_name=None, > colour_end_rgb=None, colour_list=None, file=None, > dir='/inet/current_USERS/hce06twu/research/AVR/MODEL_FREE_RUNS/relax_run2/final/pymol', > force=True) > Exception raised in thread. > > Traceback (most recent call last): > File "/SOFTWARE/relax/relax-2.1.1/gui/analyses/execute.py", line 87, in run > self.run_analysis() > File "/SOFTWARE/relax/relax-2.1.1/gui/analyses/auto_model_free.py", line > 803, 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 "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", > line 235, in __init__ > self.execute() > File "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", > line 736, in execute > self.write_results() > File "/SOFTWARE/relax/relax-2.1.1/auto_analyses/dauvergne_protocol.py", > line 899, in write_results > self.interpreter.pymol.macro_write(data_type='s2', dir=dir, > force=True) > File "/SOFTWARE/relax/relax-2.1.1/prompt/uf_objects.py", line 219, in > __call__ > self._backend(*new_args, **uf_kargs) > File "/SOFTWARE/relax/relax-2.1.1/generic_fns/pymol_control.py", line 498, > in macro_write > commands = create_macro(data_type=data_type, style=style, > colour_start=colour_start, colour_end=colour_end, colour_list=colour_list) > File "/SOFTWARE/relax/relax-2.1.1/generic_fns/pymol_control.py", line 352, > in create_macro > commands = macro(data_type, style, colour_start, colour_end, colour_list) > File "/SOFTWARE/relax/relax-2.1.1/specific_fns/model_free/macro_base.py", > line 502, in create_macro > self.classic_style(data_type, colour_start, colour_end, colour_list, > spin_id) > File "/SOFTWARE/relax/relax-2.1.1/specific_fns/model_free/macro_base.py", > line 91, in classic_style > raise RelaxError("Only a single spin per residue is allowed for the > classic macro style.") > RelaxError: RelaxError: Only a single spin per residue is allowed for the > classic macro style. > > > I think the output files seem ok, but because of this error I am questioning > if the output is inherently ok. > > Many thanks, > > James. > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-users mailing list > [email protected] > > 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 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list [email protected] 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
