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Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r23621] Maximize Restore History

Updated the parameters in all of the frame_order.py scripts for the CaM test data.

The parameters are now specified at the top of the script as variables. All scripts now handle the
change to the translation + CoM rotation for the average domain position rather than having a pure
rotation about a fixed pivot, which is no longer supported.

Authored by: bugman 2014-06-03

Browse code at this revision

Parent: [r23620]

Child: [r23622]

changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
changed	/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r23621] Maximize Restore History

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_free_rotor2/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/iso_cone_torsionless/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse2/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_free_rotor/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/pseudo_ellipse_torsionless/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py Diff Switch to side-by-side view