Commit | Date | |
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[r27296]
by
bugman
Bug fix for the printouts from the relax_data.read user function. This problem was introduced in the last relax release (at r26588). The problem is that the spin ID |
2015-01-26 10:06:30 | Tree |
[r27295]
by
bugman
Another update for the artificial diffusion tensor test suite data. The number of increments on the sphere has been increased from 5 to 6, to make the vector |
2015-01-26 09:50:14 | Tree |
[r27294]
by
bugman
Updated the artificial diffusion tensor test suite data. This is the data in test_suite/shared_data/diffusion_tensor. The residues in the PDB files are now |
2015-01-26 09:47:26 | Tree |
[r27293]
by
bugman
Modified the gap penalty arguments for the structure.align user function. These now must always be supplied, as None is not handled by the backend |
2015-01-23 16:49:29 | Tree |
[r27292]
by
bugman
More redirects for the relax HTML manual at http://www.nmr-relax.com/manual/index.html. This is required as the latex2html program used to build the manual has been modified to not This is for http://www.nmr-relax.com/manual/The_M61_skew_2_site_fast_exchange_R1_rho_model.html. |
2015-01-23 16:27:30 | Tree |
[r27291]
by
bugman
Fix for the lib.sequence.aa_codes_three_to_one() function. Non-standard residues are now converted to the '*' code. The value of 'X' prevents any type of |
2015-01-23 14:38:21 | Tree |
[r27290]
by
bugman
Sequence alignment is now performed in lib.structure.internal.coordinates.assemble_coord_array(). This is a pairwise alignment to the first molecule of the list. The alignments are not yet used for |
2015-01-23 10:09:41 | Tree |
[r27289]
by
bugman
Implemented the internal structural object one_letter_codes() method. This will create a string of one letter residue codes for the given molecule. Only proteins are |
2015-01-23 10:06:53 | Tree |
[r27288]
by
bugman
Implemented the internal structural object MolContainer.loop_residues() method. This generator method is used to quickly loop over all residues of the molecule. |
2015-01-23 10:03:35 | Tree |
[r27287]
by
bugman
Created the lib.sequence.aa_codes_three_to_one() function. The lib.sequence module now contains the AA_CODES dictionary which is a translation table for the 3 |
2015-01-23 10:02:05 | Tree |