| Commit | Date | |
|---|---|---|
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                [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 | 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 | 2012-11-22 09:20:35 | Tree | 
| 
                
                [r18015]
                
                
                by 
        
  
    
   bugman
    
                 Updates for the CaM frame order test data full_analysis.py script. The domains are now linked to the PDB files for visualisation and the Monte Carlo simulations are | 2012-11-21 07:45:11 | Tree | 
| 
                
                [r18014]
                
                
                by 
        
  
    
   bugman
    
                 Bug fix for the free-rotor isotropic cone frame order model. The cone_theta parameter is not an optimised parameter, but a Monte Carlo '*_sim' data structure | 2012-11-21 07:43:48 | Tree | 
| 
                
                [r18013]
                
                
                by 
        
  
    
   bugman
    
                 Added some code to allow for results visualisation in the frame order auto-analysis. This creates the 'cone.pdb' file representation of the motion and a relax script for launching the | 2012-11-21 07:41:46 | Tree | 
| 2012-11-20 10:29:29 | Tree | |
| 2012-11-20 10:28:25 | Tree | |
| 2012-11-20 10:10:56 | Tree | |
| 2012-11-20 10:10:17 | Tree | |
| 
                
                [r18008]
                
                
                by 
        
  
    
   bugman
    
                 The Monte Carlo simulation optimisation in the frame order auto-analysis can now be changed. The number of Sobol' points for PCS numerical integration and the function tolerance can now be set | 2012-11-20 10:07:54 | Tree |