r14979 - /1.3/generic_fns/pymol_control.py -- November 07, 2011 - 16:51

Author: bugman
Date: Mon Nov  7 16:51:14 2011
New Revision: 14979

URL: http://svn.gna.org/viewcvs/relax?rev=14979&view=rev
Log:
Fix for the pymol.cone_pdb user function for frame order models with no alpha 
average pos angle.

This is specifically for the isotropic cone, free rotor model.  But other 
models might also be
affected by this fix.


Modified:
    1.3/generic_fns/pymol_control.py

Modified: 1.3/generic_fns/pymol_control.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pymol_control.py?rev=14979&r1=14978&r2=14979&view=diff
==============================================================================
--- 1.3/generic_fns/pymol_control.py (original)
+++ 1.3/generic_fns/pymol_control.py Mon Nov  7 16:51:14 2011
@@ -305,10 +305,13 @@
     #################################
 
     # Check if there is an average position.
-    if hasattr(cdp, 'ave_pos_alpha'):
+    if hasattr(cdp, 'ave_pos_beta'):
         # The average position rotation.
         ave_pos_R = zeros((3, 3), float64)
-        euler_to_R_zyz(cdp.ave_pos_alpha, cdp.ave_pos_beta, 
cdp.ave_pos_gamma, ave_pos_R)
+        ave_pos_alpha = 0.0
+        if hasattr(cdp, 'ave_pos_alpha') and cdp.ave_pos_alpha != None:
+            ave_pos_alpha = cdp.ave_pos_alpha
+        euler_to_R_zyz(ave_pos_alpha, cdp.ave_pos_beta, cdp.ave_pos_gamma, 
ave_pos_R)
 
         # The rotation is passive (need to rotated the moving domain back 
into the average position defined in the non-moving domain PDB frame).
         R = transpose(ave_pos_R)