r23194 - in /trunk/test_suite/shared_data/frame_order/cam/rotor2: pivot_point.pdb pivot_point.py -- May 15, 2014 - 17:05

Author: bugman
Date: Thu May 15 17:05:36 2014
New Revision: 23194

URL: http://svn.gna.org/viewcvs/relax?rev=23194&view=rev
Log:
Modified the pivot point PDB representation script to include the shifted 
pivot.

This is for the 2nd rotor model of CaM frame order in the test suite.

Modified:
    trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.pdb
    trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.py

Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.pdb?rev=23194&r1=23193&r2=23194&view=diff
==============================================================================
--- trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.pdb 
(original)
+++ trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.pdb Thu 
May 15 17:05:36 2014
@@ -1,6 +1,7 @@
 REMARK   4 THIS FILE COMPLIES WITH FORMAT V. 3.30, JUL-2011.                 
   
 REMARK  40 CREATED BY RELAX (HTTP://WWW.NMR-RELAX.COM).                      
   
 ATOM      1  N   PIV A   1      37.254   0.500  16.747  1.00  0.00           
N  
-TER       2      PIV A   1                                                   
   
-MASTER        0    0    0    0    0    0    0    0    1    1    0    0       
   
+ATOM      2  N   SFT A   2      38.968   2.619  13.499  1.00  0.00           
N  
+TER       3      SFT A   2                                                   
   
+MASTER        0    0    0    0    0    0    0    0    2    1    0    0       
   
 END                                                                          
   

Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.py?rev=23194&r1=23193&r2=23194&view=diff
==============================================================================
--- trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.py  
(original)
+++ trunk/test_suite/shared_data/frame_order/cam/rotor2/pivot_point.py  Thu 
May 15 17:05:36 2014
@@ -14,8 +14,11 @@
 # Alias the single molecule from the single model.
 mol = structure.structural_data[0].mol[0]
 
-# Add the pivot.
+# Add the original pivot.
 mol.atom_add(atom_name='N', res_name='PIV', res_num=1, pos=[ 37.254, 0.5, 
16.7465], element='N')
+
+# Add the shifted pivot.
+mol.atom_add(atom_name='N', res_name='SFT', res_num=2, pos=[ 
38.968163825736738,   2.6192628972111,   13.499077238576398], element='N')
 
 # Save as a PDB file.
 file = open_write_file('pivot_point.pdb', force=True)