relax 1.2.2

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Revision as of 16:57, 22 September 2014 by Bugman (talk | contribs) (→‎Links: Fix for the official link.)
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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 To achieve this, the make system has been replaced by the Sconstruct system.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 local τm 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.


Links

For reference, the following links are also part of the announcement for this release:


Announcements

If you would like to receive announcements about new relax versions, please subscribe to the relax announcement mailing list. This list only receives ~10 emails per year. It is archived at the SourceForge archives and in The Mail Archive.


See also