Commit | Date | |
---|---|---|
[r2454]
by
bugman
The creation of a framework for the generation of Molmol macros. A large number of changes and additions have been made including: The user function 'molmol.write()' has been created. A number of functions in the generic molmol code have been renamed. These are 'open_pipe' to The functions 'self.write()' and 'self.create_macro()' have been added to 'generic_fns/molmol.py'. The two functions 'self.molmol_macro()' and 'self.molmol_macro_classic()' have been added to the A new error class called 'RelaxStyleError' has been created. This error is to be called anytime an |
2006-04-07 06:00:21 | Tree |
2006-04-07 04:15:19 | Tree | |
[r2452]
by
bugman
The run type 'hybrid' model-statistic returning function now handles numerous instances. |
2006-04-07 02:26:16 | Tree |
2006-04-06 15:52:27 | Tree | |
[r2450]
by
macraild
Fix for bug #5501. Removes all residue selection on read operations, and |
2006-04-05 14:20:20 | Tree |
[r2449]
by
bugman
Model selection is now enabled for hybrid models. This completes task #3122. The location of the task is https://gna.org/task/?func=detailitem&item_id=3122. |
2006-04-05 09:34:20 | Tree |
2006-04-05 08:14:13 | Tree | |
2006-04-05 08:09:16 | Tree | |
[r2446]
by
bugman
Stored the runs which form the hybrid in self.relax.data.hybrid_runs[]. This code is for task #3122 located at https://gna.org/task/?func=detailitem&item_id=3122. |
2006-04-05 07:45:10 | Tree |
[r2445]
by
bugman
Added the ability to create hybrid runs. This code is for task #3122 located at https://gna.org/task/?func=detailitem&item_id=3122. The modifications allow the user function 'run.hybridise()' to create a run type called 'hybrid'. |
2006-04-05 07:40:34 | Tree |