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Commit Date  
[r18025] by bugman

Created a script for removing all output from the full_analysis.py script.

This is for the CaM frame order test data.

2012-11-23 15:09:51 Tree
[r18024] by bugman

The CaM test data frame order auto-analysis script now specifies the models to use.

2012-11-23 15:06:12 Tree
[r18023] by bugman

The models used in the frame order auto-analysis can now be specified in the user script.

2012-11-23 15:00:59 Tree
[r18022] by bugman

The frame_order.cone_pdb user function now defaults to 36 increments.

This means that each increment is 10 degrees. This is for better visualisation.

2012-11-23 14:19:23 Tree
[r18021] by bugman

Bug fix for the frame order auto-analysis - the cone PDB files were being placed in the wrong directories.

2012-11-23 14:18:40 Tree
[r18020] by bugman

The final results file is now checked for by the frame order auto-analysis.

This allows the model selection and Monte Carlo simulations to be skipped if already run.

2012-11-22 14:56:44 Tree
[r18019] by bugman

The absolute path to PDB and XYZ 3D structure files is now kept in the relax data store.

This is for both the internal PDB and XYZ reader, and the Scientific Python PDB reader.

2012-11-22 10:48:15 Tree
[r18018] by bugman

Removed some debugging printouts.

2012-11-22 10:47:19 Tree
[r18017] by bugman

The PyMOL and Molmol open_pdb() methods now check for the absolute file path.

If the PDB file cannot be found on the current or relative paths, then the absolute file path is
also checked for and used if the PDB file can be found there. This allows results and save files to
be in non-standard locations.

2012-11-22 09:33:30 Tree
[r18016] by bugman

The structural API base pack_structs() method has been modified to add the absolute file path.

This will be used as a fall back mechanism for loading PDB or XYZ files from old state or results
files if the file cannot be found on the relative path. This is useful for the PyMOL and Molmol
user functions.

2012-11-22 09:20:35 Tree
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