Author: bugman
Date: Tue Sep 23 20:05:55 2014
New Revision: 25981
URL: http://svn.gna.org/viewcvs/relax?rev=25981&view=rev
Log:
Fixes for the specific_analyses.frame_order.geometric.average_position()
function.
The recent trunk changes with the structural object Internal_selection class
required a change in
this function.
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
Modified:
branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py?rev=25981&r1=25980&r2=25981&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
(original)
+++ branches/frame_order_cleanup/specific_analyses/frame_order/geometric.py
Tue Sep 23 20:05:55 2014
@@ -502,6 +502,9 @@
@type sim: bool
"""
+ # The selection object.
+ selection = structure.selection(atom_id=domain_moving())
+
# Loop over each model.
for i in range(len(models)):
# First rotate the moving domain to the average position.
@@ -517,14 +520,14 @@
else:
euler_to_R_zyz(0.0, cdp.ave_pos_beta, cdp.ave_pos_gamma, R)
origin = pipe_centre_of_mass(atom_id=domain_moving(), verbosity=0)
- structure.rotate(R=R, origin=origin, model=models[i],
atom_id=domain_moving())
+ structure.rotate(R=R, origin=origin, model=models[i],
selection=selection)
# Then translate the moving domain.
if sim:
T = [cdp.ave_pos_x_sim[i], cdp.ave_pos_y_sim[i],
cdp.ave_pos_z_sim[i]]
else:
T = [cdp.ave_pos_x, cdp.ave_pos_y, cdp.ave_pos_z]
- structure.translate(T=T, model=models[i], atom_id=domain_moving())
+ structure.translate(T=T, model=models[i], selection=selection)
def create_ave_pos(format='PDB', file=None, dir=None, compress_type=0,
model=1, force=False):
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