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SVN archive Commit Log


Commit Date  
[r8555] by bugman

Indentation fix.

2009-01-21 16:26:00 Tree
[r8554] by bugman

A fix for the __parse_mols() method.

The 'END' PDB record is no longer identified as a molecule!

2009-01-20 16:02:00 Tree
[r8553] by bugman

Bug fix for the MolList.__repr__() method, the molecule name is in 'mol_name'.

2009-01-20 15:57:22 Tree
[r8552] by bugman

Missing import.

2009-01-20 15:38:58 Tree
[r8551] by bugman

Fixes for the create_run() and execute() functions for the new structural data design.

2009-01-20 15:36:43 Tree
[r8550] by bugman

Fixes for all these system tests as the molecule name is not 'Ap4Aase_res1-12_mol1'.

2009-01-20 15:30:23 Tree
[r8549] by bugman

Fixes for the call to the structure.read_pdb() user function.

2009-01-20 15:27:29 Tree
[r8548] by bugman

Some fixes for the test_load_internal_results() system test.

This is for the new structural data data structure design, and matches r8547.

2009-01-20 15:24:06 Tree
[r8547] by bugman

Some fixes for the test_load_scientific_results() system test.

This is for the new structural data data structure design.

2009-01-20 15:21:00 Tree
[r8546] by bugman

Created a file for the ellipsoidal CS tensor (possibly a temporary name).

The command used was:
svn cp generic_fns/relax_data.py generic_fns/chemical_shift.py

This is discussed in the post https://mail.gna.org/public/relax-devel/2009-01/msg00103.html
(Message-id: <7f080ed10901191454p4511e3d1n706cc2c1fd64c242@...>).

2009-01-19 23:05:36 Tree
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