Difference between revisions of "Relax 1.2.2"
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This release improves compatibility for different operating systems including Unix, Mac OS X, and Windows. To achieve this, the make system has been replaced by the Sconstruct system. Both the Dasha and Modelfree4 code has been significantly improved. A number of bugs have also been fixed including: | This release improves compatibility for different operating systems including Unix, Mac OS X, and Windows. To achieve this, the make system has been replaced by the Sconstruct system. Both the Dasha and Modelfree4 code has been significantly improved. A number of bugs have also been fixed including: | ||
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* The file 'generic_fns/palmer.py' has been modified to gracefully handle a Modelfree4 bug whereby the 'mfout' output file has been corrupted due to the fusion of columns. | * The file 'generic_fns/palmer.py' has been modified to gracefully handle a Modelfree4 bug whereby the 'mfout' output file has been corrupted due to the fusion of columns. | ||
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= See also = | = See also = | ||
[[Category:Release_Notes]] | [[Category:Release_Notes]] | ||
Revision as of 18:59, 10 September 2014
Description
This release improves compatibility for different operating systems including Unix, Mac OS X, and Windows. To achieve this, the make system has been replaced by the Sconstruct system. Both the Dasha and Modelfree4 code has been significantly improved. A number of bugs have also been fixed including:
- The automatically generated Dasha script has been fixed. Previously the optimise command used was 'min all' or 'lmin all'. This is incorrect and the proper syntax is 'min m n' or 'lmin m n' where m is the first residue number while n is the last.
- The code of 'generic_fns/value.py', 'generic_fns/diffusion_tensor.py', and 'specific_fns/model_free.py' has been fixed to properly handle the local tm parameter as well as the global tm parameter.
- The local tm parameter can now also be part of the parameter set for an OpenDX map of the chi-squared space.
- The optimisation code has been fixed to handle the unstable, broken Numeric Python packages so that the Cholesky Hessian modification works again and the eigenvalue decomposition (which now freezes Python) is avoided.
- The file 'generic_fns/palmer.py' has been modified to gracefully handle a Modelfree4 bug whereby the 'mfout' output file has been corrupted due to the fusion of columns.
