mailr6554 - /1.3/sample_scripts/full_analysis.py


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Posted by edward on June 29, 2008 - 01:14:
Author: bugman
Date: Sun Jun 29 01:14:07 2008
New Revision: 6554

URL: http://svn.gna.org/viewcvs/relax?rev=6554&view=rev
Log:
Added the ability to change the sequence.read() arguments through user 
variables.


Modified:
    1.3/sample_scripts/full_analysis.py

Modified: 1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=6554&r1=6553&r2=6554&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Sun Jun 29 01:14:07 2008
@@ -136,6 +136,9 @@
 # The file containing the sequence.
 SEQUENCE = 'noe.600.out'
 
+# The sequence.read() arguments (corresponding to the keyword arguments 
[dir, mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col, 
sep], see the sequence.read() documentation for more information).
+SEQ_ARGS = [None, None, 0, 1, None, None, None]
+
 # The relaxation data (Data type, frequency label, frequency, file name).
 # These are the arguments 'ri_label', 'frq_label', 'frq', and 'file' to the 
relax_data.read() user function.  Please read the user function documentation 
for more information.
 RELAX_DATA = [['R1', '600', 599.719 * 1e6, 'r1.600.out'],
@@ -590,7 +593,7 @@
             pipe.create(name, 'mf')
 
             # Load the sequence.
-            sequence.read(SEQUENCE)
+            sequence.read(SEQUENCE, SEQ_ARGS[0], SEQ_ARGS[1], SEQ_ARGS[2], 
SEQ_ARGS[3], SEQ_ARGS[4], SEQ_ARGS[5], SEQ_ARGS[6])
 
             # Load the PDB file and calculate the unit vectors parallel to 
the XH bond.
             if not local_tm and PDB_FILE:




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