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Relax 1.2.8

465 bytes added, 15:57, 21 September 2014
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<section begin=features/>
* Preliminary support for RNA/DNA. ([https://gna.org/bugs/?7241 bug #7241])
* Significant improvements to the SCons build system (see 'scons --help').
* Expansion and improvement of the [http://www.nmr-relax.com/manual/relax_development.html relax development chapter].
* The [http://www.nmr-relax.com/manual/grace_write.html grace.write user function] works with reduced spectral density mapping. ([https://gna.org/task/?4002 task #4002])
<section end=features/>
* MS Windows installation instructions have been added to the manual.
* The RelaxWarning system has been added to standardise warning messages.
* The relax manual now describes the test suite. ([https://gna.org/task /?#3781task #3781])
* The <sup>15</sup>N CSA values in the sample scripts are now all -172 ppm.
* The ambiguity cased by supplying the option 'None' together with Newton optimisation has been resolved in the documentation. ([https://gna.org/task/?3630 task #3630])
* Optimisation tests have been added to the test suite.
<section end=changes/>
<section begin=bugfixes/>
* Model selection between the global diffusion models no longer fails if all residues of the local tm models have been deselected by model elimination. ([https://gna.org/bugs/?7192 bug #7192])* The 'angles.py' sample script no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7224 bug #7224])* Prior to executing Modelfree4, Dasha, Molmol, Grace, or OpenDX, tests are run to determine if the binary exists, is executable, and is in the system path. ([https://gna.org/bugs/?7225 bug #7225])* Model elimination when using the model-free model 'm0' no longer fails. ([https://gna.org/bugs/?7226 bug #7226])* The strict checking of the Da and Dr diffusion tensor parameters has been relaxed to allow for optimisation imprecision. ([https://gna.org/bugs/?7297 bug #7297])* The reading of Modelfree4 mfout results files no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7277 bug #7277])* If optimisation returns an infinite value or a NaN value, these are now caught and a RelaxError thrown. ([https://gna.org/bugs/?6503 bug #6503], [https://gna.org/task/?3621 task #3621])* The sigma(NOE) equations of Chapter 8 of the manual have been fixed. ([https://gna.org/bugs/?7402 bug #7402])* Files containing relaxation data not consisting of exactly 4 columns will now be read. ([https://gna.org/bugs/?7583 bug #7583])* Model-free results files from relax versions prior to 1.2.5 are now properly read. ([https://gna.org/bugs/?7587 bug #7587])* Model selection between the global diffusion models does not fail when the local tm models are included. ([https://gna.org/bugs/?7616 bug #7616])
<section end=bugfixes/>
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