Commit | Date | |
---|---|---|
[r28103]
by
bugman
Implemented the SVD algorithm for the PCA analysis in the relax library. This simply calls numpy.linalg.svd(). |
2015-11-25 17:38:04 | Tree |
[r28102]
by
bugman
Added the 'algorithm' and 'num_modes' arguments to the structure.pca user function. These are passed all the way into the relax library backend. |
2015-11-25 17:38:02 | Tree |
[r28101]
by
bugman
Partial implemented of the PCA analysis in the relax library. This is for the new structure.pca user function. The lib.structure.pca module has been created, and |
2015-11-25 17:38:00 | Tree |
[r28100]
by
bugman
Basic implementation of the structure.pca user function back end. This is the new pca() function of the pipe_control.structure.main module. It simply performs some |
2015-11-25 17:37:58 | Tree |
[r28099]
by
bugman
Fix for the structure.pca user function front end. The PCA name was misspelt as PCS. |
2015-11-25 17:37:56 | Tree |
[r28098]
by
bugman
Created the structure.pca user function front end. This is currently modelled on the structure.rmsd user function framework. |
2015-11-25 17:37:55 | Tree |
[r28097]
by
bugman
Added a file to the test suite shared data to help implement the PCA structural analysis. This is the N-domain of the CaM-IQ complex used in a frame order analysis. It is the first 5 |
2015-11-25 17:37:53 | Tree |
[r28096]
by
bugman
Updates to the Noe and Structure system test classes for the internal structural object changes. The serial number can now be reset, and the chain ID information is no longer stored. |
2015-11-25 17:09:04 | Tree |
[r28095]
by
bugman
Modified the internal structural object to be less influenced by the format of the PDB. The PDB serial number is now intelligently handled, in that it is reset to 1 when a new model is The chain ID information is now no longer stored in the internal structural object, as this |
2015-11-25 17:09:01 | Tree |
[r28094]
by
tlinnet
Fix for spelling mistake and documenting the new behavior of relax_disp.r2eff_read(), when reading r2eff points with the same frequency. If the spin-container already contain r2eff values with the 'frequency of the CPMG pulse' or 'spin-lock field strength', |
2015-11-24 07:15:43 | Tree |