Commit | Date | |
---|---|---|
[r15052]
by
bugman
Fix for the storage of back-calculated PCSs from the frame order analysis. The values are now converted back to ppm. |
2011-12-07 18:00:27 | Tree |
[r15051]
by
bugman
The back-calculated RDCs and PCSs are now being stored in the relax data store. This is for the frame order optimisation, calculation, or back calculation functions. |
2011-12-07 17:54:44 | Tree |
[r15050]
by
bugman
Fix for the rotor frame order target function - the atomic vectors are now always calculated. If the pivot was not being optimised, these vectors were not being calculated. |
2011-12-07 17:21:29 | Tree |
2011-12-07 17:19:28 | Tree | |
2011-12-07 17:14:59 | Tree | |
[r15047]
by
bugman
Created the new _pivot_fixed() method for the frame order analysis. This is to determine if the pivot point is fixed or not during optimisation. |
2011-12-07 17:14:30 | Tree |
[r15046]
by
bugman
The frame_order.pivot user function now accepts the fix argument to allow the pivot to be fixed. This is for optimisation. |
2011-12-07 17:04:11 | Tree |
[r15045]
by
bugman
Fix for the align_tensor.init user function - the tensor name is no longer stored as an alignment ID. The align_id arg is now used instead, and this prevents problems of multiple tensors defining too |
2011-12-07 15:34:12 | Tree |
[r15044]
by
bugman
Converted the align_tensor.init user function to accept the align_id and domain arguments. The domain argument complements the align_tensor.set_domain user function whereas the align_id arg |
2011-12-07 15:32:01 | Tree |
[r15043]
by
bugman
The frame order rotor target function can now properly handle missing RDC or PCS data sets. |
2011-12-07 12:51:14 | Tree |