Menu

SVN archive Commit Log


Commit Date  
[r5438] by bugman

Bug fix in the load_spins() function.

Renamed incorrectly named variables.

2008-04-08 13:41:43 Tree
[r5437] by bugman

Modified load_spins() to handle a single molecule with no name.

2008-04-08 13:39:08 Tree
[r5436] by bugman

Added some missing imports.

2008-04-08 13:28:07 Tree
[r5435] by bugman

Buf fix for the system test for the loading of a sequence from a PDB file.

The N atom was incorrectly specified.

2008-04-08 13:26:13 Tree
[r5434] by bugman

Added the atom_id keyword to the Scientific Python PDB data object atom_loop() method.

2008-04-08 13:21:22 Tree
[r5433] by bugman

Fixes and expansion of the system test for the loading of a sequence from a PDB file.

2008-04-08 13:17:47 Tree
[r5432] by bugman

Removed the import of the now non-existant generic_fns.sequence.load_PDB_sequence() function.

2008-04-08 13:11:29 Tree
[r5431] by bugman

Completion of generic_fns.structure.main.load_spins() and allowed atom selections in atom_loop().

The generic_fns.structure.main.load_spins() function now uses the structural data object API method
atom_loop() to generate the molecule, residue, and spin sequence in the relax data store. The
sequence generation code is mainly from the old load_PDB_sequence() function.

The Scientific Python data object atom_loop() generator method has been updated to allow for only
selected atoms to be yielded.

2008-04-08 13:10:12 Tree
[r5430] by bugman

Merged generic_fns.sequence.load_PDB_sequence() into generic_fns.structure.main.load_spins().

2008-04-08 12:39:03 Tree
[r5429] by bugman

Removed the call to load_PDB_sequence().

The main part of load_PDB_sequence() will shifted to this load_spins() function. Those parts
specific to the Scientific Python PDB representation will be shifted to the atom_loop() method of
the new scientific python data object.

2008-04-08 12:36:46 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.