Author: bugman Date: Fri Sep 6 13:57:01 2013 New Revision: 20893 URL: http://svn.gna.org/viewcvs/relax?rev=20893&view=rev Log: Modified the script for the full analysis of all models of CPMG type. Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001) Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx> Modified: branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py Modified: branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py?rev=20893&r1=20892&r2=20893&view=diff ============================================================================== --- branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py (original) +++ branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py Fri Sep 6 13:57:01 2013 @@ -6,10 +6,10 @@ state.load(state='ini_setup_trunc.bz2') # Set settings for run. -results_directory = os.path.join(os.getcwd(),"model_sel_analyt") +results_directory = os.path.join(os.getcwd(),"relax_results_trunc") pipe_name = 'base pipe'; pipe_bundle = 'relax_disp' -MODELS = ['R2eff', 'No Rex', 'TSMFK01', 'LM63', 'CR72', 'CR72 full', 'IT99'] -GRID_INC = 21; MC_NUM = 10; MODSEL = 'AIC' +MODELS = ['R2eff', 'No Rex', 'TSMFK01', 'LM63', 'LM63 3-site', 'CR72', 'CR72 full', 'IT99', 'NS CPMG 2-site 3D', 'NS CPMG 2-site expanded', 'NS CPMG 2-site star'] +GRID_INC = 11; MC_NUM = 50; MODSEL = 'AIC' # Execute Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, results_dir=results_directory, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL)