relax 1.2.2

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relax version 1.2.2
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Keywords Operating system compatibility
Release type Major feature
Release date 20 February 2006

The PDF version of the relax 1.2.2 user manual The relax 1.2.2 user manual

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 To achieve this, the make system has been replaced by the Sconstruct system.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 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

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See also