Commit | Date | |
---|---|---|
[r14885]
by
bugman
Created the front end for the new structure.rotate user function. The purpose of this user function is to apply arbitrary rotations to the structures loaded into |
2011-10-23 16:56:36 | Tree |
[r14884]
by
bugman
Added a few new argument checks for arrays and matrices of floats. These are: |
2011-10-23 16:55:01 | Tree |
[r14883]
by
bugman
Added a few new RelaxError classes. These include: The BaseArgError class was also modified to handle the length arg (now the size arg) being a tuple |
2011-10-23 16:51:42 | Tree |
[r14882]
by
bugman
Fix for the frame_order.cone_pdb user function. The create_cone_pdb was referencing a non-existent variable! |
2011-10-21 09:12:39 | Tree |
[r14881]
by
bugman
Fix for the set up of Monte Carlo data for fixed alignment tensors in the N-state model. The _minimise_setup_fixed_tensors() method has been fixed to return the actual tensor rather than |
2011-10-18 13:46:27 | Tree |
[r14880]
by
bugman
The N-state model Monte Carlo simulations can now handle fixed alignment tensors. |
2011-10-18 09:09:31 | Tree |
[r14879]
by
bugman
Created the alignment tensor module return_tensor() function for returning tensors. This takes fixed tensors into account, skipping them if the skip_fixed flag is set. |
2011-10-18 08:47:58 | Tree |
[r14878]
by
bugman
Created the alignment tensor module num_tensors() method for counting tensors. This excludes fixed tensors by default. |
2011-10-18 08:39:11 | Tree |
[r14877]
by
bugman
The rdc and pcs display and write user functions now output mol, res, and spin name and num cols. Instead of the spin ID column, these user functions now output the molecule name, residue name, |
2011-10-18 07:13:22 | Tree |
[r14876]
by
bugman
Bug fix for the relax_io.read_spin_data() function for spin IDs. Spin IDs can now be handled if they are the first column in the data file! |
2011-10-18 06:51:59 | Tree |