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SVN archive Commit Log


Commit Date  
[r6818] by bugman

Added 2 new methods to the internal relax structural object.

These are __find_bonded_atom() and bond_vectors().

2008-07-07 23:15:32 Tree
[r6817] by semor

Changed calls to write_pdb_file() to its actual name: write_pdb().

2008-07-07 22:36:46 Tree
[r6816] by semor

Corrections for the atom_connect() function calls to match the needed variables.

2008-07-07 22:31:15 Tree
[r6815] by semor

Correction for the structure.atom_add() function calls to match the variables needed.

2008-07-07 22:24:29 Tree
[r6814] by semor

Switched from os.devnull to devnull within relax_io.open_write_file().

This is as proposed by Edward d'Auvergne in a post at:
https://mail.gna.org/public/relax-devel/2008-07/msg00021.html (Message ID:
7f080ed10807061152i2a101224p5c5d710d6a92ee@...)

2008-07-07 21:46:52 Tree
[r6813] by bugman

Swapped the generic_fns.relax_re.search() arg order, and fixed all calls to it.

2008-07-07 20:58:23 Tree
[r6812] by bugman

Added a unit test for the generic_fns.relax_re.search() function.

2008-07-07 20:44:53 Tree
[r6811] by bugman

Removed some code checking for deselected molecules and residues.

Only spins can be selected and deselected (one molecule at a time maybe, but still just the spins)!

2008-07-07 20:31:18 Tree
[r6810] by bugman

Some fixes for the test_angles() system test.

'attached_proton' is now called 'attached_atom'.

2008-07-07 20:26:26 Tree
[r6809] by bugman

Another fix for the __find_bonded_atom() Scientific PDB object method.

2008-07-07 20:24:34 Tree
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