Commit | Date | |
---|---|---|
[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 |
[r23810]
by
bugman
Added the full optimisation results for the free rotor frame order model with missing data. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-06-11 06:10:02 | Tree |
[r23809]
by
bugman
Removed a PDB file from the free rotor CaM frame order test data directory. This is now present as a *.gz file, so the uncompressed file can go. |
2014-06-11 06:08:17 | Tree |
[r23808]
by
bugman
Added the full optimisation results for the 2nd free rotor frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-06-11 06:07:50 | Tree |
[r23807]
by
bugman
Added the full optimisation results for the free rotor frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-06-11 06:07:03 | Tree |