mailr20893 - /branches/relax_disp/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/relax_4_model_sel_trunc.py


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Posted by edward on September 06, 2013 - 13:57:
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)




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