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Commit Date  
[r8212] by bugman

The combine_models flag is now effective in the load_spins() function.

2008-12-12 15:31:37 Tree
[r8211] by bugman

Created a new arg 'combine_models' to the structure.load_spins() user function.

This will allow spins to be extracted separately for each model in an ensemble or for only one set
of spins for all structures.

2008-12-12 15:07:07 Tree
[r8210] by bugman

Another bug fix for the load_pdb() internal structure object method.

This was found by the lactose N-state model system test. The __fill_object_from_pdb() method was
not being called properly and when loading multiple PDB files containing model information, the
first would contain the atomic information of all files!

2008-12-12 10:31:06 Tree
[r8209] by bugman

Partial bug fix for the lactose N-state model system test.

The bond vector returning function for the internal PDB reader was converting the atom_id to
uppercase. This meant that molecule name corresponding to the file name was not matching!

2008-12-12 10:24:10 Tree
[r8208] by bugman

Fixes for the lactose PDB file reading system tests. The path to the files has changed!

2008-12-12 10:05:28 Tree
[r8207] by bugman

Activated the lactose N-state model system test.

2008-12-12 10:02:35 Tree
[r8206] by bugman

Added a system test script for the lactose N-state analysis using RDCs and PCSs.

2008-12-12 09:57:13 Tree
[r8205] by bugman

Added 10 tag PDB files for the lactose system test.

2008-12-12 09:56:09 Tree
[r8204] by bugman

Added some lactose RDC and PCS data. Note this is randomised and truncated for protection!!!

2008-12-12 09:47:28 Tree
[r8203] by bugman

Created a directory for storing alignment data such as RDCs and PCSs.

2008-12-12 09:44:12 Tree
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