r24481 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/r24481 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/Author: bugman Date: Tue Jul 8 15:57:43 2014 New Revision: 24481 URL: http://svn.gna.org/viewcvs/relax?rev=24481&view=rev Log: Added the full optimisation results for the rigid frame order model. This is for the CaM test data using the new frame_order.py optimisation script. Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_fixed_piv.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_sim.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_true.pdb.gz (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_fixed_piv.bz2 (with props) branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_true.bz2 (with props) Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.bz2 branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.log.bz2 branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos.pdb.gz?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos.pdb.gz ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_fixed_piv.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_fixed_piv.pdb.gz?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_fixed_piv.pdb.gz ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_sim.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_sim.pdb.gz?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_sim.pdb.gz ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_true.pdb.gz URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_true.pdb.gz?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/ave_pos_true.pdb.gz ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.bz2 URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.bz2?rev=24481&r1=24480&r2=24481&view=diff ============================================================================== Binary files - no diff available. Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.log.bz2 URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.log.bz2?rev=24481&r1=24480&r2=24481&view=diff ============================================================================== Binary files - no diff available. Modified: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py?rev=24481&r1=24480&r2=24481&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py (original) +++ branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order.py Tue Jul 8 15:57:43 2014 @@ -74,9 +74,6 @@ # Set the paramagnetic centre. paramag.centre(pos=[35.934, 12.194, -4.206]) -# The optimisation settings. -frame_order.num_int_pts(num=5000) - # Check the minimum. value.set(param='ave_pos_x', val=AVE_POS_X) value.set(param='ave_pos_y', val=AVE_POS_Y) @@ -93,7 +90,7 @@ state.save('frame_order_true', force=True) # Optimise. -#grid_search(inc=3) +grid_search(inc=11) minimise('simplex') # Store the result. Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_fixed_piv.bz2 URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_fixed_piv.bz2?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_fixed_piv.bz2 ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream Added: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_true.bz2 URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_true.bz2?rev=24481&view=auto ============================================================================== Binary file - no diff available. Propchange: branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rigid/frame_order_true.bz2 ------------------------------------------------------------------------------ svn:mime-type = application/octet-stream