mailr23155 - /trunk/pipe_control/pymol_control.py


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Posted by edward on May 12, 2014 - 19:49:
Author: bugman
Date: Mon May 12 19:49:37 2014
New Revision: 23155

URL: http://svn.gna.org/viewcvs/relax?rev=23155&view=rev
Log:
Removed the domain rotation code from the pymol.cone_pdb user function 
backend.

This should only display the cone PDB object.  The domain rotation is now 
performed by the far more
powerful frame_order.pdb_model user function.

Modified:
    trunk/pipe_control/pymol_control.py

Modified: trunk/pipe_control/pymol_control.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/pymol_control.py?rev=23155&r1=23154&r2=23155&view=diff
==============================================================================
--- trunk/pipe_control/pymol_control.py (original)
+++ trunk/pipe_control/pymol_control.py Mon May 12 19:49:37 2014
@@ -333,33 +333,6 @@
     pymol_obj.exec_cmd("cmd.delete('sele')")
 
 
-    # Rotate to the average position.
-    #################################
-
-    # Check if there is an average position.
-    if hasattr(cdp, 'ave_pos_beta'):
-        # The average position rotation.
-        ave_pos_R = zeros((3, 3), float64)
-        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)
-
-        # Convert to axis-angle notation.
-        axis, angle = R_to_axis_angle(R)
-
-        # The PDB file to rotate.
-        for i in range(len(cdp.domain_to_pdb)):
-            if cdp.domain_to_pdb[i][0] != cdp.ref_domain:
-                pdb = cdp.domain_to_pdb[i][1]
-
-        # Execute the pymol command to rotate.
-        pymol_obj.exec_cmd("cmd.rotate([%s, %s, %s], %s, '%s', origin=[%s, 
%s, %s])" % (axis[0], axis[1], axis[2], angle/pi*180.0, pdb, cdp.pivot[0], 
cdp.pivot[1], cdp.pivot[2]))
-
-
 def create_macro(data_type=None, style="classic", colour_start=None, 
colour_end=None, colour_list=None):
     """Create an array of PyMOL commands.
 




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