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Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r23191] Maximize Restore History

Modified the 2nd rotor model of CaM frame order optimisation script.

The frame_order.pdb_model user function is now used to create a PDB representation of the rotor
motions for the real, expected parameters and for the optimisation results when the pivot point is
fixed.

In addition, the pymol.cone_pdb user function has been replaced by the pymol.frame_order user
function. All new files have been added to the repository.

Authored by: bugman 2014-05-15

Browse code at this revision

Parent: [r23190]

Child: [r23192]

changed	/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb
copied	/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb -> /trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb
changed	/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2
changed	/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.log
added	/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pdb
changed	/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
added	/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.pdb
added	/trunk/test_suite/shared_data/frame_order/cam/rotor2/true_frame_order.pdb

/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb to /trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb

File was copied.

/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2

Binary file was changed.

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r23191] Maximize Restore History

/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb to /trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb

/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2

/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.log Diff Switch to side-by-side view

/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pdb Diff Switch to side-by-side view

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

/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/frame_order/cam/rotor2/true_frame_order.pdb Diff Switch to side-by-side view