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SVN archive Commit Log


Commit Date  
[r5456] by bugman

Updated the noe.py sample script to use the new structure.load_spins() user function.

2008-04-08 16:20:00 Tree
[r5455] by bugman

Bug fix in the test_opendx_theta_phi_da() system test.

The load_seq arg to the structure.read_pdb() user function no longer exists.

2008-04-08 16:16:05 Tree
[r5454] by bugman

The position vector is added to the SpinContainer in the load_spins() function.

2008-04-08 16:15:29 Tree
[r5453] by bugman

Created the test_load_protein_asp_atoms_from_pdb() system test.

This tests the loading of all aspartic acid atoms from the single residue in a loaded protein PDB
file.

2008-04-08 16:12:24 Tree
[r5452] by bugman

Bug fix in the Scientific Python PDB object atom_loop() generator method.

The atom name is now returned rather than the element type!

2008-04-08 16:04:19 Tree
[r5451] by bugman

Created the test_load_protein_gly_N_Ca_spins_from_pdb() system test.

This tests the loading of glycine backbone amide N and Ca spins from a loaded protein PDB file.

2008-04-08 15:56:35 Tree
[r5450] by bugman

Added the system test test_load_protein_gly_N_spins_from_pdb().

This tests the loading the glycine backbone amide N spins from a loaded protein PDB file.

2008-04-08 15:52:50 Tree
[r5449] by bugman

Bug fix for the system test of loading the protein backbone amide N spins from a loaded PDB file.

2008-04-08 15:48:51 Tree
[r5448] by bugman

Bug fix for the MoleculeContainer.add_item() method.

The select flag is now set when replacing element 0.

2008-04-08 15:44:07 Tree
[r5447] by bugman

Bug fix for the ResidueContainer.add_item() method.

The select flag is now set when replacing element 0.

2008-04-08 15:43:07 Tree
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