mailr22815 - in /trunk/sample_scripts: n_state_model/conformation_analysis_rdc+pcs.py relax_disp/R1rho_analysis.py


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Posted by edward on April 22, 2014 - 17:41:
Author: bugman
Date: Tue Apr 22 17:41:49 2014
New Revision: 22815

URL: http://svn.gna.org/viewcvs/relax?rev=22815&view=rev
Log:
More path fixes for the sample scripts to allow them to run on MS Windows and 
Mac OS X.

This is for the relaxation dispersion R1rho_analysis.py script and the 
N-state model
conformation_analysis_rdc+pcs.py script.  These scripts should be modified by 
the user for their own
data, so they should not encounter this problem when using the scripts 
normally.


Modified:
    trunk/sample_scripts/n_state_model/conformation_analysis_rdc+pcs.py
    trunk/sample_scripts/relax_disp/R1rho_analysis.py

Modified: trunk/sample_scripts/n_state_model/conformation_analysis_rdc+pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/n_state_model/conformation_analysis_rdc%2Bpcs.py?rev=22815&r1=22814&r2=22815&view=diff
==============================================================================
--- trunk/sample_scripts/n_state_model/conformation_analysis_rdc+pcs.py 
(original)
+++ trunk/sample_scripts/n_state_model/conformation_analysis_rdc+pcs.py Tue 
Apr 22 17:41:49 2014
@@ -30,7 +30,7 @@
 
 
 # Python imports.
-from os import getcwd, listdir
+from os import getcwd, listdir, pardir, sep
 from re import search
 
 # relax imports.
@@ -83,13 +83,13 @@
 # Load the RDCs and PCSs.
 for i in range(len(align_list)):
     # The RDC.
-    rdc.read(align_id=align_list[i], file='rdc_Series1_G.txt', 
dir='../../../align_data', spin_id1_col=1, spin_id2_col=2, data_col=i+3, 
error_col=None)
-    rdc.read(align_id=align_list[i], file='rdc_err_measured.txt', 
dir='../../../align_data', spin_id1_col=1, spin_id2_col=2, data_col=None, 
error_col=i+3)
+    rdc.read(align_id=align_list[i], file='rdc_Series1_G.txt', 
dir=pardir+sep+pardir+sep+pardir+sep+'align_data', spin_id1_col=1, 
spin_id2_col=2, data_col=i+3, error_col=None)
+    rdc.read(align_id=align_list[i], file='rdc_err_measured.txt', 
dir=pardir+sep+pardir+sep+pardir+sep+'align_data', spin_id1_col=1, 
spin_id2_col=2, data_col=None, error_col=i+3)
     rdc.display(align_id=align_list[i])
 
     # The PCS.
-    pcs.read(align_id=align_list[i], file='pcs_Series1_G.txt', 
dir='../../../align_data', mol_name_col=None, res_num_col=None, 
res_name_col=None, spin_num_col=None, spin_name_col=1, data_col=i+2, 
error_col=None)
-    pcs.read(align_id=align_list[i], file='pcs_err_measured+rcsa.txt', 
dir='../../../align_data', mol_name_col=None, res_num_col=None, 
res_name_col=None, spin_num_col=None, spin_name_col=1, data_col=None, 
error_col=i+2)
+    pcs.read(align_id=align_list[i], file='pcs_Series1_G.txt', 
dir=pardir+sep+pardir+sep+pardir+sep+'align_data', mol_name_col=None, 
res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=1, 
data_col=i+2, error_col=None)
+    pcs.read(align_id=align_list[i], file='pcs_err_measured+rcsa.txt', 
dir=pardir+sep+pardir+sep+pardir+sep+'align_data', mol_name_col=None, 
res_num_col=None, res_name_col=None, spin_num_col=None, spin_name_col=1, 
data_col=None, error_col=i+2)
     pcs.display(align_id=align_list[i])
 
     # The weights.
@@ -112,7 +112,7 @@
 # Load all the tag structures.
 NUM_TAG = 1000
 for i in range(NUM_TAG):
-    structure.read_pdb(file='LactoseMCMM4_'+`i+1`, 
dir='../../../structures/tag_1000/080704_MCMM4_aligned-forEd1000', 
set_model_num=i+1, set_mol_name='tag')
+    structure.read_pdb(file='LactoseMCMM4_'+`i+1`, 
dir=pardir+sep+pardir+sep+pardir+sep+'structures'+sep+'tag_1000'+sep+'080704_MCMM4_aligned-forEd1000',
 set_model_num=i+1, set_mol_name='tag')
 
 # Load the lanthanide atoms.
 structure.load_spins(spin_id=':4@C1', ave_pos=False)

Modified: trunk/sample_scripts/relax_disp/R1rho_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/sample_scripts/relax_disp/R1rho_analysis.py?rev=22815&r1=22814&r2=22815&view=diff
==============================================================================
--- trunk/sample_scripts/relax_disp/R1rho_analysis.py   (original)
+++ trunk/sample_scripts/relax_disp/R1rho_analysis.py   Tue Apr 22 17:41:49 
2014
@@ -21,6 +21,9 @@
 
 """Script for performing a full relaxation dispersion analysis using 
off-resonance R1rho-type data."""
 
+
+# Python module imports.
+from os import pardir, sep
 
 # relax module imports.
 from auto_analyses.relax_disp import Relax_disp
@@ -62,7 +65,7 @@
 #######################
 
 # The path to the data files.
-DATA_PATH = '../../test_suite/shared_data/dispersion/r1rho_off_res_tp02'
+DATA_PATH = 
pardir+sep+pardir+sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'r1rho_off_res_tp02'
 
 # Create the data pipe.
 pipe_name = 'base pipe'




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