Author: bugman Date: Wed Sep 10 18:46:29 2014 New Revision: 25737 URL: http://svn.gna.org/viewcvs/relax?rev=25737&view=rev Log: Created some test data files for visualising the frame order axis permutation. This uses the CaM frame order synthetic data for the rotor model to visualise the pseudo-ellipse frame order model axis permutations. The initial conversion sets the pseudo-ellipse torsion angle cone_sigma_max to the rotor opening half-angle, and the pseudo-elliptic cone opening to close to zero. Then the axis permutations are performed. All three solutions are optimised. PDB representations before and after optimisation are included to illustrate any problems. Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/ branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_A.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_B.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.log branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.py branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pymol_display.py [This mail would be too long, it was shortened to contain the URLs only.] Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_A_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_orig_perm_B_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_A_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_A.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_A.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_B.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/fo_perm_B_B.pdb.gz?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.log URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.log?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pseudo-ellipse.py?rev=25737&view=auto Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pymol_display.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/permutations/pymol_display.py?rev=25737&view=auto