Commit | Date | |
---|---|---|
[r8122]
by
semor
Still more for the generic peak intensity support. Changed the proton definition in the generic file to match the default value for simplicity of The test now passes for the reading of the intensity associated to the first delay only... |
2008-12-04 01:48:29 | Tree |
[r8121]
by
semor
Still more for the generic peak intensity support. The intensity is now returned for the first delay only. Further work is needed for the code to return all available intensities (for the different delays). |
2008-12-04 01:46:41 | Tree |
[r8120]
by
semor
Still more for the generic peak intensity support. Added a column for the proton within the generic peak intensity file and modified the handling code |
2008-12-04 01:30:38 | Tree |
2008-12-04 01:22:24 | Tree | |
[r8118]
by
semor
Continued the implementation of the reading of the generic peak intensity file. The good file is now input. |
2008-12-04 01:14:08 | Tree |
2008-12-04 01:09:50 | Tree | |
[r8116]
by
bugman
Added a sample script for the creation of the PDB representation of the XH bond vectors. |
2008-12-03 21:56:23 | Tree |
[r8115]
by
bugman
The centre_of_mass() function now only throws warnings rather than RelaxErrors. This allows the CoM to be calculated even if a few elements are unknown or if the element record is |
2008-12-03 21:30:16 | Tree |
[r8114]
by
bugman
Fix for the centre_of_mass() function. When no element entry is present in the PDB file, a RelaxError is thrown. |
2008-12-03 21:03:42 | Tree |
[r8113]
by
bugman
Bug fix for the centre_of_mass() function. The spin id string is now created to correctly return the molecule, residue, and spin containers. |
2008-12-03 20:51:10 | Tree |