relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r8485] by bugman The internal PDB reader now has rudimentary support for element determination if that column is missing.	2009-01-15 17:30:08	Tree
[r8484] by bugman Bug fixes for the non-protein and non-RNA Scientific python molecules. A new MolContainer list-type class has been added to store the molecules.	2009-01-15 17:03:36	Tree
[r8483] by bugman Bug fix for the load_pdb() method. Molecules other than proteins and RNA are now correctly stored and their type set in mol_type.	2009-01-15 16:37:00	Tree
[r8482] by bugman Bug fix for the test_load_spins_from_small_molecule() system test. The molecule name is now 'gromacs_phthalic_acid_mol1'.	2009-01-15 16:19:30	Tree
[r8481] by bugman The write_pdb() method now validates the structural data with validate() before doing anything.	2009-01-15 16:17:55	Tree
[r8480] by bugman Bug fix for the new validate() method.	2009-01-15 16:15:59	Tree
[r8479] by bugman Modified the load_spins() function to use the new num_models() and num_molecules() methods.	2009-01-15 16:14:52	Tree
[r8478] by bugman Created the validate() method.	2009-01-15 16:12:46	Tree
[r8477] by bugman Deletion of the API num_structures() method, and creation of num_models() and num_molecules().	2009-01-15 16:09:45	Tree
[r8476] by bugman Bug fix for an infinite loop in the structure loading.	2009-01-15 16:09:10	Tree

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