Commit | Date | |
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[r23195]
by
bugman
Creation of a branch for cleaning up the frame order analysis. As this analysis has been in development for many years, a lot of code that was developed for the |
2014-05-16 08:21:23 | Tree |
[r23194]
by
bugman
Modified the pivot point PDB representation script to include the shifted pivot. This is for the 2nd rotor model of CaM frame order in the test suite. |
2014-05-15 15:05:36 | Tree |
2014-05-15 14:58:03 | Tree | |
[r23192]
by
bugman
Added a relax script for creating a PDB representation of the original pivot point. This is for the 2nd rotor model of CaM frame order in the test suite. The resultant PDB file has |
2014-05-15 14:41:13 | Tree |
[r23191]
by
bugman
Modified the 2nd rotor model of CaM frame order optimisation script. The frame_order.pdb_model user function is now used to create a PDB representation of the rotor In addition, the pymol.cone_pdb user function has been replaced by the pymol.frame_order user |
2014-05-15 13:54:38 | Tree |
[r23190]
by
bugman
Improvements for the rotor PDB representation shown by the pymol.frame_order user function. The stick radius width change is now only for the rotor PDB object, and not everything in PyMOL. |
2014-05-15 13:49:42 | Tree |
[r23189]
by
bugman
Modified the frame_order.pdb_model user function so that the three PDB files are optional. This allows only certain components of the frame order theory to be represented in PDB format. |
2014-05-15 13:49:41 | Tree |
[r23188]
by
bugman
Fix for bug #22041, the PDB atom serial number error from the structure.write_pdb user function. This was reported at https://gna.org/bugs/?22041. The problem is that the structure.write_pdb user function preserves the atom numbering from the |
2014-05-15 11:07:49 | Tree |
[r23187]
by
bugman
Created the Structure.test_bug_22041_atom_numbering system test to catch bug #22041. This was reported at https://gna.org/bugs/?22041. The problem is that the structure.write_pdb user function does not create the correct atom serial |
2014-05-15 11:07:47 | Tree |
2014-05-14 21:58:39 | Tree |