Author: bugman Date: Fri Aug 22 12:06:46 2014 New Revision: 25205 URL: http://svn.gna.org/viewcvs/relax?rev=25205&view=rev Log: Merged revisions 25204 via svnmerge from svn+ssh://[email protected]/svn/relax/trunk
........ r25204 | bugman | 2014-08-22 11:55:21 +0200 (Fri, 22 Aug 2014) | 12 lines Added an optimisation script for the test_suite/shared_data/diffusion_tensor/ellipsoid relaxation data. This is to help catch bug #22502 (https://gna.org/bugs/?22502), the geometric prolate diffusion representation does not align with axis in PDB, as reported by Martin Ballaschk (https://gna.org/users/mab). The PDB files of the optimised tensor demonstrate exactly the same problem as seen in the files attached to the bug report. The oblate and spherical diffusion tensor representations match that of the ellipsoid. But the prolate axis and tensor orientation are both different from the ellipsoid as well as themselves. ........ Added: branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/ellipsoid.pdb - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/ellipsoid.pdb branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/oblate.pdb - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/oblate.pdb branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/prolate.pdb - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/prolate.pdb branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/sphere.pdb - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/sphere.pdb branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/tensor_opt.log - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/tensor_opt.log branches/frame_order_cleanup/test_suite/shared_data/diffusion_tensor/ellipsoid/tensor_opt.py - copied unchanged from r25204, trunk/test_suite/shared_data/diffusion_tensor/ellipsoid/tensor_opt.py Modified: branches/frame_order_cleanup/ (props changed) Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Fri Aug 22 12:06:46 2014 @@ -1 +1 @@ -/trunk:1-25202 +/trunk:1-25204 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits
