r23197 - in /branches/frame_order_cleanup: auto_analyses/ specific_analyses/frame_order/ test_suite/shared_data/frame_order/...r23197 - in /branches/frame_order_cleanup: auto_analyses/ specific_analyses/frame_order/ test_suite/shared_data/frame_order/...Author: bugman Date: Fri May 16 10:45:40 2014 New Revision: 23197 URL: http://svn.gna.org/viewcvs/relax?rev=23197&view=rev Log: Deletion of the frame_order.average_position user function and all of the associated backend code. This user function allowed the user to specify five different types of displacement to the average moving domain position: - A pure rotation, with no translation, about the pivot of the motion in the system. - A rotation about the pivot of the motion of the system together with a translation. - A pure translation with no rotation. - A rotation about the centre of mass of the moving domain with no translation. - A rotation about the centre of mass of the moving domain together with a translation. Now the last option will be the default and only option. This option is equivalent to the standard superimposition algorithm (the Kabsch algorithm) to a hypothetical structure at the real average position. The other four are due to the history of the development of the theory. These limit the usefulness of the theory and will only cause confusion. Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py branches/frame_order_cleanup/specific_analyses/frame_order/checks.py branches/frame_order_cleanup/specific_analyses/frame_order/data.py branches/frame_order_cleanup/specific_analyses/frame_order/optimisation.py branches/frame_order_cleanup/specific_analyses/frame_order/parameters.py branches/frame_order_cleanup/specific_analyses/frame_order/uf.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor2/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/free_rotor_missing_data/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/full_analysis.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/pcs_only/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/displacements/optimisation.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/displacements/rigid_test.py branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py branches/frame_order_cleanup/user_functions/frame_order.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: branches/frame_order_cleanup/auto_analyses/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/auto_analyses/frame_order.py?rev=23197&r1=23196&r2=23197&view=diff Modified: branches/frame_order_cleanup/specific_analyses/frame_order/checks.py URL: 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