Commit | Date | |
---|---|---|
[r8592]
by
bugman
Updated mf_csa.py to the 1.2.10 branched ellipsoidal CS tensor code. This code comes from Pavel Kaderavek <kada att chemi dot muni dot cz> and is located at |
2009-01-22 14:03:36 | Tree |
2009-01-22 14:02:59 | Tree | |
2009-01-22 14:01:11 | Tree | |
[r8589]
by
bugman
Fixes for create_vector_dist() for the new structural data design. The atoms are added to the single molecule, and the struct_index has been eliminated. |
2009-01-22 13:59:41 | Tree |
[r8588]
by
bugman
Fix for the Internal.add_molecule() method. The orig_mol_num structure must be a list! |
2009-01-22 13:56:15 | Tree |
2009-01-22 13:54:21 | Tree | |
[r8586]
by
bugman
Fix for create_vector_dist(). The presence of structures now is tested using cdp.structure.num_models(). |
2009-01-22 13:47:36 | Tree |
[r8585]
by
bugman
Modified load_spins() to handle spin systems with the molecule unnamed. If loading spins from a PDB file is used but the sequence already loaded (without the molecule ID |
2009-01-22 13:36:04 | Tree |
2009-01-22 13:18:51 | Tree | |
[r8583]
by
bugman
Updated all the files in maths_fns/ to the 1.2.10 branched ellipsoidal CS tensor code. This code comes from Pavel Kaderavek <kada att chemi dot muni dot cz> and is located at The 'mf_csa.py' file has been excluded for now. |
2009-01-22 13:15:02 | Tree |