Author: bugman
Date: Fri Oct 2 12:19:10 2015
New Revision: 27946
URL: http://svn.gna.org/viewcvs/relax?rev=27946&view=rev
Log:
Merged revisions 24731-24735,24754 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/frame_order_cleanup
........
r24731 | bugman | 2014-07-24 18:53:53 +0200 (Thu, 24 Jul 2014) | 3 lines
Converted the frame_order_free_start.py script to use the zooming grid
search.
........
r24732 | bugman | 2014-07-24 19:01:00 +0200 (Thu, 24 Jul 2014) | 5 lines
Added lots of calls to the time user function to the
frame_order_free_start.py.
This will be used to fine tune the frame order analysis on a cluster.
........
r24733 | bugman | 2014-07-25 09:03:18 +0200 (Fri, 25 Jul 2014) | 7 lines
Increased the default grid bounds for the pivot parameters of the frame
order models.
The pivot point is now searched for in a 50 Angstrom box and the pivot
displacement for the double
motion models from 10 to 60 Angstroms. These were originally a 20 Angstrom
box and 10 to 50
Angstroms. The larger grid is possible when combined with the new zooming
grid search.
........
r24734 | bugman | 2014-07-25 09:32:15 +0200 (Fri, 25 Jul 2014) | 8 lines
Updated the frame order optimisation results for the 2-site CaM test data
fitting to the rotor model.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24735 | bugman | 2014-07-25 09:36:43 +0200 (Fri, 25 Jul 2014) | 8 lines
Updated the frame order optimisation results for the CaM rotor test data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
r24754 | bugman | 2014-07-25 15:57:19 +0200 (Fri, 25 Jul 2014) | 8 lines
Updated the frame order optimisation results for the 2nd CaM rotor test
data.
The optimisation in the frame_order.py is now of higher precision with the
number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo
simulations. The new
frame order representation files have been added to the repository, as well
as the intermediate
state files.
........
Added:
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_sim.pdb.gz
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_fixed_piv.bz2
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_sim.pdb.gz
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_true.bz2
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_sim.pdb.gz
- copied unchanged from r24754,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.bz2
- copied unchanged from r24754,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_sim.pdb.gz
- copied unchanged from r24754,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_true.bz2
- copied unchanged from r24754,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor2/frame_order_true.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_sim.pdb.gz
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.bz2
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_sim.pdb.gz
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_sim.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.bz2
- copied unchanged from r24735,
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.bz2
Modified:
trunk/ (props changed)
trunk/specific_analyses/frame_order/parameter_object.py
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/specific_analyses/frame_order/parameter_object.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/frame_order/parameter_object.py?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/ave_pos_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.log.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order.py?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_free_start.py?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor/frame_order_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/ave_pos_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.log.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified: trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order.py?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor2/frame_order_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/ave_pos_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.log.bz2?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order.py?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_fixed_piv.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
Modified:
trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/frame_order/cam/rotor_2_state/frame_order_true.pdb.gz?rev=27946&r1=27945&r2=27946&view=diff
r27946 - in /trunk: ./ specific_analyses/frame_order/ test_suite/shared_data/frame_order/cam/rotor/ test_suite/shared_data/f...