Commit | Date | |
---|---|---|
[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 |
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 |
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 |
2009-01-15 16:09:10 | Tree | |
2009-01-15 15:57:25 | Tree | |
[r8474]
by
bugman
Merged revisions 8356,8436,8470-8471 via svnmerge from ........ |
2009-01-15 15:23:13 | Tree |