mailr15007 - /1.3/generic_fns/structure/superimpose.py


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Posted by edward on November 22, 2011 - 14:20:
Author: bugman
Date: Tue Nov 22 14:20:41 2011
New Revision: 15007

URL: http://svn.gna.org/viewcvs/relax?rev=15007&view=rev
Log:
Fix for the structure.superimpose user function print outs - the angle is now 
in degrees.


Modified:
    1.3/generic_fns/structure/superimpose.py

Modified: 1.3/generic_fns/structure/superimpose.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/superimpose.py?rev=15007&r1=15006&r2=15007&view=diff
==============================================================================
--- 1.3/generic_fns/structure/superimpose.py (original)
+++ 1.3/generic_fns/structure/superimpose.py Tue Nov 22 14:20:41 2011
@@ -153,7 +153,7 @@
             trans_vect, trans_dist, R, axis, angle, pivot = 
kabsch(name_from='model %s'%models[0], name_to='mean', coord_from=coord[i], 
coord_to=mean, verbosity=0)
 
             # Table print out.
-            print("%-10i%25.3g%25.3g" % (i, trans_dist, angle))
+            print("%-10i%25.3g%25.3g" % (i, trans_dist, (angle / 2.0 / pi * 
360.0)))
 
             # Shift the coordinates.
             print coord[i][0]




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