relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r8489] by bugman The "'" character is stripped so __det_pdb_element() better handles RNA.	2009-01-15 17:47:49	Tree
[r8488] by bugman Added 'SG' to the translation table.	2009-01-15 17:46:43	Tree
[r8487] by bugman Shifted __det_pdb_element() to the correct location.	2009-01-15 17:42:02	Tree
[r8486] by bugman Added an amino acid translation table for determining elements from PDB atom names.	2009-01-15 17:41:28	Tree
[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

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