Commit | Date | |
---|---|---|
[r24382]
by
bugman
Fixes for the Diffusion_tensor system tests due to the recent PDB file changes. Prior to the comparison of the generated PDB files, all REMARK PDB lines are now stripped out. |
2014-07-01 15:16:30 | Tree |
[r24381]
by
bugman
Expansion of the REMARK section of the PDB file created for the internal structural object. This is visible when using the structure.write_pdb user function, as well as the many other user |
2014-07-01 15:08:16 | Tree |
[r24380]
by
bugman
Empty lines are now handled by the lib.structure.pdb_write.record() function. By supplying the remark as None, empty lines can now be created in the REMARK section of a PDB file. |
2014-07-01 15:04:41 | Tree |
[r24379]
by
bugman
Fix for the pymol.frame_order user function. The representation function for the rotor objects was hiding all parts of the representation, hence |
2014-07-01 14:46:08 | Tree |
[r24378]
by
bugman
Fixes for the cone geometric object created by the frame_order.pdb_model user function. This was broken by the code refactoring and now works again for the pseudo-ellipse models. |
2014-07-01 14:26:41 | Tree |
[r24377]
by
bugman
Redesign of the axis geometric representation for the frame order motions. This is now much more model dependent to avoid clashes with the rotor objects and other - For the torsionless isotropic cone, a single z-axis is created. - For the double rotor, a single z-axis is produced connecting the two pivots, from pivot2 to pivot1. - For the pseudo-ellipse and free rotor pseudo-ellipse, the x and y-axes are created. - For the torsionless pseudo-ellipse, all three x, y and z-axes are created. - For all other models, no axis system is produced as this has been made redundant by the rotor |
2014-07-01 14:17:10 | Tree |
[r24376]
by
bugman
Modified the rotor representation generated by the pymol.frame_order user function. This is to make the object less bulky. |
2014-07-01 12:20:02 | Tree |
[r24375]
by
bugman
Added support for labels in the rotor geometric object for the internal structural object. The labels are created by the frame_order.pdb_model user function backend. For the double rotor The labels are then sent into the lib.structure.represent.rotor.rotor() function via the new label Finally the pymol.frame_order user function selects these atoms, hides them and then labels them |
2014-07-01 11:49:54 | Tree |
[r24374]
by
bugman
Renamed the lib.structure.represent.rotor.rotor_pdb() function to rotor(). This function is not PDB specific and it just creates a 3D structural representation of a rotor |
2014-07-01 10:51:23 | Tree |
[r24373]
by
bugman
The motional pivots for the frame order models are now labelled in the geometric representation. The pivot points are now added as a new molecule called 'pivots' in the frame_order.pdb_model user |
2014-07-01 10:42:41 | Tree |