Commit | Date | |
---|---|---|
[r23820]
by
tlinnet
Added the ei index, when creating the first dw_mask. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 08:08:06 | Tree |
[r23819]
by
tlinnet
Replaced self.(ei,si,mi,oi,di) with self.(NE,NS,NM,NO,ND). These numbers represents the maximum number of dimensions, instead of index. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 08:08:05 | Tree |
[r23818]
by
tlinnet
Started converting profiling script to DPL94. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 08:08:02 | Tree |
[r23817]
by
tlinnet
Copied profiling script for CPMG model CR72 to R1rho DPL94 model. The framework of the script will be the same, but the data a little different. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 06:46:00 | Tree |
[r23816]
by
tlinnet
Comment out the sys.exit(), which would make the code fail for wrong calculation of dw. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 06:40:40 | Tree |
[r23815]
by
tlinnet
Switched to use self.ei, self.si, self.mi, self.oi, self.di. This is for better reading of code. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 06:40:38 | Tree |
[r23814]
by
tlinnet
Initial try to reshape dw faster. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 06:28:27 | Tree |
[r23813]
by
tlinnet
Made iinitialisation structures for dw. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 06:28:25 | Tree |
[r23812]
by
bugman
Fixes for the rotor object created by the frame_order.pdb_model user function. The rotor is now also shown for the free rotor pseudo-ellipse, despite it being a useless model, and |
2014-06-11 06:21:48 | Tree |
[r23811]
by
bugman
Added a script for recreating the frame order PDB representation and displaying it in PyMOL. This is for the optimised results. |
2014-06-11 06:19:22 | Tree |